8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

C147H193FN30S — CID 158584030

IUPAC8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
SMILESC1=C(c2cccc3c(NC(C4CC4)C4CC4)nc(NCC4CCCCC4)nc23)CCNC1.C[C@@H](Nc1nc(NCC2CCC2)nc2c(C3=CCNCC3)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCC2)nc2c(C3=CCNCC3)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCCC2)nc2c(C3=CCN(C)CC3)cccc12)C1CC1.Cc1cc(C)cc(Nc2nc(N[C@H](C)C3CC3)c3cccc(CCN)c3n2)c1.Cc1cccc(CNc2nc(N[C@H](C)c3cccs3)c3cccc(CCN)c3n2)c1F
InChIInChI=1S/C27H37N5.C26H37N5.C24H26FN5S.C24H33N5.C23H31N5.C23H29N5/c1-2-5-18(6-3-1)17-29-27-31-25-22(19-13-15-28-16-14-19)7-4-8-23(25)26(32-27)30-24(20-9-10-20)21-11-12-21;1-18(20-11-12-20)28-25-23-10-6-9-22(21-13-15-31(2)16-14-21)24(23)29-26(30-25)27-17-19-7-4-3-5-8-19;1-15-6-3-8-18(21(15)25)14-27-24-29-22-17(11-12-26)7-4-9-19(22)23(30-24)28-16(2)20-10-5-13-31-20;1-16(18-9-10-18)27-23-21-8-4-7-20(19-11-13-25-14-12-19)22(21)28-24(29-23)26-15-17-5-2-3-6-17;1-15(17-8-9-17)26-22-20-7-3-6-19(18-10-12-24-13-11-18)21(20)27-23(28-22)25-14-16-4-2-5-16;1-14-11-15(2)13-19(12-14)26-23-27-21-18(9-10-24)5-4-6-20(21)22(28-23)25-16(3)17-7-8-17/h4,7-8,13,18,20-21,24,28H,1-3,5-6,9-12,14-17H2,(H2,29,30,31,32);6,9-10,13,18-20H,3-5,7-8,11-12,14-17H2,1-2H3,(H2,27,28,29,30);3-10,13,16H,11-12,14,26H2,1-2H3,(H2,27,28,29,30);4,7-8,11,16-18,25H,2-3,5-6,9-10,12-15H2,1H3,(H2,26,27,28,29);3,6-7,10,15-17,24H,2,4-5,8-9,11-14H2,1H3,(H2,25,26,27,28);4-6,11-13,16-17H,7-10,24H2,1-3H3,(H2,25,26,27,28)/t;18-;2*16-;15-;16-/m.11111/s1
InChIKeyHTPHWPZYMGWWLS-XNNMJPBPSA-N
MW2431.44 g/mol
LogP30.53
Rot. Bonds44

About 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine (PubChem CID 158584030) has the molecular formula C147H193FN30S and a molecular weight of 2431.44 g/mol. Its IUPAC name is 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
PubChem CID158584030
Molecular FormulaC147H193FN30S
Molecular Weight2431.44 g/mol
Exact Mass2429.57
IUPAC Name8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
SMILESC1=C(c2cccc3c(NC(C4CC4)C4CC4)nc(NCC4CCCCC4)nc23)CCNC1.C[C@@H](Nc1nc(NCC2CCC2)nc2c(C3=CCNCC3)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCC2)nc2c(C3=CCNCC3)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCCC2)nc2c(C3=CCN(C)CC3)cccc12)C1CC1.Cc1cc(C)cc(Nc2nc(N[C@H](C)C3CC3)c3cccc(CCN)c3n2)c1.Cc1cccc(CNc2nc(N[C@H](C)c3cccs3)c3cccc(CCN)c3n2)c1F
InChIInChI=1S/C27H37N5.C26H37N5.C24H26FN5S.C24H33N5.C23H31N5.C23H29N5/c1-2-5-18(6-3-1)17-29-27-31-25-22(19-13-15-28-16-14-19)7-4-8-23(25)26(32-27)30-24(20-9-10-20)21-11-12-21;1-18(20-11-12-20)28-25-23-10-6-9-22(21-13-15-31(2)16-14-21)24(23)29-26(30-25)27-17-19-7-4-3-5-8-19;1-15-6-3-8-18(21(15)25)14-27-24-29-22-17(11-12-26)7-4-9-19(22)23(30-24)28-16(2)20-10-5-13-31-20;1-16(18-9-10-18)27-23-21-8-4-7-20(19-11-13-25-14-12-19)22(21)28-24(29-23)26-15-17-5-2-3-6-17;1-15(17-8-9-17)26-22-20-7-3-6-19(18-10-12-24-13-11-18)21(20)27-23(28-22)25-14-16-4-2-5-16;1-14-11-15(2)13-19(12-14)26-23-27-21-18(9-10-24)5-4-6-20(21)22(28-23)25-16(3)17-7-8-17/h4,7-8,13,18,20-21,24,28H,1-3,5-6,9-12,14-17H2,(H2,29,30,31,32);6,9-10,13,18-20H,3-5,7-8,11-12,14-17H2,1-2H3,(H2,27,28,29,30);3-10,13,16H,11-12,14,26H2,1-2H3,(H2,27,28,29,30);4,7-8,11,16-18,25H,2-3,5-6,9-10,12-15H2,1H3,(H2,26,27,28,29);3,6-7,10,15-17,24H,2,4-5,8-9,11-14H2,1H3,(H2,25,26,27,28);4-6,11-13,16-17H,7-10,24H2,1-3H3,(H2,25,26,27,28)/t;18-;2*16-;15-;16-/m.11111/s1
InChIKeyHTPHWPZYMGWWLS-XNNMJPBPSA-N
XLogP30.53
TPSA390.41 Ų
H-Bond Donors17
H-Bond Acceptors31
Rotatable Bonds44
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002431.44
LogP ≤ 530.53
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1031

Analyze 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

2-piperidin-1-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 68724587
8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 142474253
8-(aminomethyl)-2-N-(3-fluoro-5-methylphenyl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 142474327
8-(2-aminoethyl)-2-N-(3-fluoro-5-methylphenyl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 142474357
2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 142474364
2-N-[[3-chloro-5-[[4-[2-(3-chloro-4-fluoroanilino)-4-[[(1R)-1-cyclopropylethyl]amino]quinazolin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-fluorophenyl]methyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 155058389
2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperidin-1-ylpropyl)quinazolin-4-amine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N-[2-[3-(3-fluoro-4-methylphenyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 158889334
8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-[[3-[2-[(1R)-1-[[2-[[3-[4-[2-(3-fluoro-5-methylanilino)-4-[[(1R)-1-thiophen-2-ylethyl]amino]-1,2-dihydroquinazolin-8-yl]-1,2,3,6-tetrahydropyridin-6-yl]cyclohexyl]methylamino]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-yl]amino]propyl]cyclopropyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 163521951
2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-(1-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 164754249
8-(aminomethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 157547664
2-N-[(2-fluoro-3-methylphenyl)methyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 157547666
8-(2-aminoethyl)-2-N-(4-fluoro-3-methylphenyl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine
CID 158852526

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine (CID 158584030) is 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine is C1=C(c2cccc3c(NC(C4CC4)C4CC4)nc(NCC4CCCCC4)nc23)CCNC1.C[C@@H](Nc1nc(NCC2CCC2)nc2c(C3=CCNCC3)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCC2)nc2c(C3=CCNCC3)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCCC2)nc2c(C3=CCN(C)CC3)cccc12)C1CC1.Cc1cc(C)cc(Nc2nc(N[C@H](C)C3CC3)c3cccc(CCN)c3n2)c1.Cc1cccc(CNc2nc(N[C@H](C)c3cccs3)c3cccc(CCN)c3n2)c1F.
What is the InChIKey of 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
The InChIKey is HTPHWPZYMGWWLS-XNNMJPBPSA-N. The full InChI is InChI=1S/C27H37N5.C26H37N5.C24H26FN5S.C24H33N5.C23H31N5.C23H29N5/c1-2-5-18(6-3-1)17-29-27-31-25-22(19-13-15-28-16-14-19)7-4-8-23(25)26(32-27)30-24(20-9-10-20)21-11-12-21;1-18(20-11-12-20)28-25-23-10-6-9-22(21-13-15-31(2)16-14-21)24(23)29-26(30-25)27-17-19-7-4-3-5-8-19;1-15-6-3-8-18(21(15)25)14-27-24-29-22-17(11-12-26)7-4-9-19(22)23(30-24)28-16(2)20-10-5-13-31-20;1-16(18-9-10-18)27-23-21-8-4-7-20(19-11-13-25-14-12-19)22(21)28-24(29-23)26-15-17-5-2-3-6-17;1-15(17-8-9-17)26-22-20-7-3-6-19(18-10-12-24-13-11-18)21(20)27-23(28-22)25-14-16-4-2-5-16;1-14-11-15(2)13-19(12-14)26-23-27-21-18(9-10-24)5-4-6-20(21)22(28-23)25-16(3)17-7-8-17/h4,7-8,13,18,20-21,24,28H,1-3,5-6,9-12,14-17H2,(H2,29,30,31,32);6,9-10,13,18-20H,3-5,7-8,11-12,14-17H2,1-2H3,(H2,27,28,29,30);3-10,13,16H,11-12,14,26H2,1-2H3,(H2,27,28,29,30);4,7-8,11,16-18,25H,2-3,5-6,9-10,12-15H2,1H3,(H2,26,27,28,29);3,6-7,10,15-17,24H,2,4-5,8-9,11-14H2,1H3,(H2,25,26,27,28);4-6,11-13,16-17H,7-10,24H2,1-3H3,(H2,25,26,27,28)/t;18-;2*16-;15-;16-/m.11111/s1.
What are the key properties of 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?
8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine has a molecular weight of 2431.44 g/mol, XLogP of 30.53, 44 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-2-N-[(2-fluoro-3-methylphenyl)methyl]-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 158584030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).