2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

C140H146Cl2F2N28O2S — CID 164969800

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESCCC(C)CNc1nc(Nc2ccc(C)c(Cl)c2)nc2ccccc12.Cc1c(F)cc(Nc2nc(N[C@H](C)C3CC3)c3ccccc3n2)cc1F.Cc1ccc(CNc2nc(Nc3ccc(C)c(Cl)c3)nc3ccccc23)o1.Cc1cccc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1.Cc1cccc(CNc2nc(N[C@H](C)C3CC3)c3ccccc3n2)c1.Cc1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1.c1ccc2c(NCC3CC3)nc(NCC3CCC3)nc2c1
InChIInChI=1S/C21H19ClN4O.C21H20N4O.C21H24N4.C20H23ClN4.C20H20F2N4.C20H18N4S.C17H22N4/c1-13-7-9-15(11-18(13)22)24-21-25-19-6-4-3-5-17(19)20(26-21)23-12-16-10-8-14(2)27-16;1-15-6-4-7-16(12-15)13-23-21-24-19-10-3-2-9-18(19)20(25-21)22-14-17-8-5-11-26-17;1-14-6-5-7-16(12-14)13-22-21-24-19-9-4-3-8-18(19)20(25-21)23-15(2)17-10-11-17;1-4-13(2)12-22-19-16-7-5-6-8-18(16)24-20(25-19)23-15-10-9-14(3)17(21)11-15;1-11-16(21)9-14(10-17(11)22)24-20-25-18-6-4-3-5-15(18)19(26-20)23-12(2)13-7-8-13;1-14-6-4-7-15(12-14)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-25-16;1-2-7-15-14(6-1)16(18-10-13-8-9-13)21-17(20-15)19-11-12-4-3-5-12/h3-11H,12H2,1-2H3,(H2,23,24,25,26);2-12H,13-14H2,1H3,(H2,22,23,24,25);3-9,12,15,17H,10-11,13H2,1-2H3,(H2,22,23,24,25);5-11,13H,4,12H2,1-3H3,(H2,22,23,24,25);3-6,9-10,12-13H,7-8H2,1-2H3,(H2,23,24,25,26);2-12H,13H2,1H3,(H2,21,22,23,24);1-2,6-7,12-13H,3-5,8-11H2,(H2,18,19,20,21)/t;;15-;;12-;;/m..1.1../s1
InChIKeyCYUULQTWQDRNHW-AELLWHNCSA-N
MW2393.87 g/mol
LogP35.35
Rot. Bonds39

About 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 164969800) has the molecular formula C140H146Cl2F2N28O2S and a molecular weight of 2393.87 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID164969800
Molecular FormulaC140H146Cl2F2N28O2S
Molecular Weight2393.87 g/mol
Exact Mass2391.12
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
SMILESCCC(C)CNc1nc(Nc2ccc(C)c(Cl)c2)nc2ccccc12.Cc1c(F)cc(Nc2nc(N[C@H](C)C3CC3)c3ccccc3n2)cc1F.Cc1ccc(CNc2nc(Nc3ccc(C)c(Cl)c3)nc3ccccc23)o1.Cc1cccc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1.Cc1cccc(CNc2nc(N[C@H](C)C3CC3)c3ccccc3n2)c1.Cc1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1.c1ccc2c(NCC3CC3)nc(NCC3CCC3)nc2c1
InChIInChI=1S/C21H19ClN4O.C21H20N4O.C21H24N4.C20H23ClN4.C20H20F2N4.C20H18N4S.C17H22N4/c1-13-7-9-15(11-18(13)22)24-21-25-19-6-4-3-5-17(19)20(26-21)23-12-16-10-8-14(2)27-16;1-15-6-4-7-16(12-15)13-23-21-24-19-10-3-2-9-18(19)20(25-21)22-14-17-8-5-11-26-17;1-14-6-5-7-16(12-14)13-22-21-24-19-9-4-3-8-18(19)20(25-21)23-15(2)17-10-11-17;1-4-13(2)12-22-19-16-7-5-6-8-18(16)24-20(25-19)23-15-10-9-14(3)17(21)11-15;1-11-16(21)9-14(10-17(11)22)24-20-25-18-6-4-3-5-15(18)19(26-20)23-12(2)13-7-8-13;1-14-6-4-7-15(12-14)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-25-16;1-2-7-15-14(6-1)16(18-10-13-8-9-13)21-17(20-15)19-11-12-4-3-5-12/h3-11H,12H2,1-2H3,(H2,23,24,25,26);2-12H,13-14H2,1H3,(H2,22,23,24,25);3-9,12,15,17H,10-11,13H2,1-2H3,(H2,22,23,24,25);5-11,13H,4,12H2,1-3H3,(H2,22,23,24,25);3-6,9-10,12-13H,7-8H2,1-2H3,(H2,23,24,25,26);2-12H,13H2,1H3,(H2,21,22,23,24);1-2,6-7,12-13H,3-5,8-11H2,(H2,18,19,20,21)/t;;15-;;12-;;/m..1.1../s1
InChIKeyCYUULQTWQDRNHW-AELLWHNCSA-N
XLogP35.35
TPSA375.16 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.87
LogP ≤ 535.35
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Analyze 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine (CID 164969800) is 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is CCC(C)CNc1nc(Nc2ccc(C)c(Cl)c2)nc2ccccc12.Cc1c(F)cc(Nc2nc(N[C@H](C)C3CC3)c3ccccc3n2)cc1F.Cc1ccc(CNc2nc(Nc3ccc(C)c(Cl)c3)nc3ccccc23)o1.Cc1cccc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1.Cc1cccc(CNc2nc(N[C@H](C)C3CC3)c3ccccc3n2)c1.Cc1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1.c1ccc2c(NCC3CC3)nc(NCC3CCC3)nc2c1.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is CYUULQTWQDRNHW-AELLWHNCSA-N. The full InChI is InChI=1S/C21H19ClN4O.C21H20N4O.C21H24N4.C20H23ClN4.C20H20F2N4.C20H18N4S.C17H22N4/c1-13-7-9-15(11-18(13)22)24-21-25-19-6-4-3-5-17(19)20(26-21)23-12-16-10-8-14(2)27-16;1-15-6-4-7-16(12-15)13-23-21-24-19-10-3-2-9-18(19)20(25-21)22-14-17-8-5-11-26-17;1-14-6-5-7-16(12-14)13-22-21-24-19-9-4-3-8-18(19)20(25-21)23-15(2)17-10-11-17;1-4-13(2)12-22-19-16-7-5-6-8-18(16)24-20(25-19)23-15-10-9-14(3)17(21)11-15;1-11-16(21)9-14(10-17(11)22)24-20-25-18-6-4-3-5-15(18)19(26-20)23-12(2)13-7-8-13;1-14-6-4-7-15(12-14)22-20-23-18-10-3-2-9-17(18)19(24-20)21-13-16-8-5-11-25-16;1-2-7-15-14(6-1)16(18-10-13-8-9-13)21-17(20-15)19-11-12-4-3-5-12/h3-11H,12H2,1-2H3,(H2,23,24,25,26);2-12H,13-14H2,1H3,(H2,22,23,24,25);3-9,12,15,17H,10-11,13H2,1-2H3,(H2,22,23,24,25);5-11,13H,4,12H2,1-3H3,(H2,22,23,24,25);3-6,9-10,12-13H,7-8H2,1-2H3,(H2,23,24,25,26);2-12H,13H2,1H3,(H2,21,22,23,24);1-2,6-7,12-13H,3-5,8-11H2,(H2,18,19,20,21)/t;;15-;;12-;;/m..1.1../s1.
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 2393.87 g/mol, XLogP of 35.35, 39 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N-(2-methylbutyl)quinazoline-2,4-diamine;2-N-(3-chloro-4-methylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine;2-N-(cyclobutylmethyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3,5-difluoro-4-methylphenyl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;4-N-(furan-2-ylmethyl)-2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine;2-N-(3-methylphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 164969800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).