1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol

C109H126FN39O7S2 — CID 159272056

IUPAC1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.CN(C)S(=O)(=O)Cc1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.COc1cccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Sc1cnc(N2CCN(c3ncnc(Nc4ccc(C5CCCCO5)cc4)n3)CC2)nc1
InChIInChI=1S/C28H29FN8OS.2C27H33N11O2.C27H31N9O2S/c29-23-5-1-2-7-25(23)39-22-17-30-27(31-18-22)36-12-14-37(15-13-36)28-33-19-32-26(35-28)34-21-10-8-20(9-11-21)24-6-3-4-16-38-24;1-39-23-4-2-3-20(12-23)11-21-13-29-26(30-14-21)36-6-8-37(9-7-36)27-32-19-31-25(35-27)34-22-15-33-38(17-22)18-24-16-28-5-10-40-24;1-27(39,20-5-3-2-4-6-20)21-13-29-25(30-14-21)36-8-10-37(11-9-36)26-32-19-31-24(35-26)34-22-15-33-38(17-22)18-23-16-28-7-12-40-23;1-34(2)39(37,38)19-22-8-10-24(11-9-22)32-25-30-20-31-27(33-25)36-14-12-35(13-15-36)26-28-17-23(18-29-26)16-21-6-4-3-5-7-21/h1-2,5,7-11,17-19,24H,3-4,6,12-16H2,(H,32,33,34,35);2-4,12-15,17,19,24,28H,5-11,16,18H2,1H3,(H,31,32,34,35);2-6,13-15,17,19,23,28,39H,7-12,16,18H2,1H3,(H,31,32,34,35);3-11,17-18,20H,12-16,19H2,1-2H3,(H,30,31,32,33)/t;24-;23-,27?;/m.00./s1
InChIKeyKXVLDHKTMYFKGI-UPPQSSOSSA-N
MW2177.60 g/mol
LogP10.67
Rot. Bonds33

About 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol

1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol (PubChem CID 159272056) has the molecular formula C109H126FN39O7S2 and a molecular weight of 2177.60 g/mol. Its IUPAC name is 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol
PubChem CID159272056
Molecular FormulaC109H126FN39O7S2
Molecular Weight2177.60 g/mol
Exact Mass2176.01
IUPAC Name1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.CN(C)S(=O)(=O)Cc1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.COc1cccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Sc1cnc(N2CCN(c3ncnc(Nc4ccc(C5CCCCO5)cc4)n3)CC2)nc1
InChIInChI=1S/C28H29FN8OS.2C27H33N11O2.C27H31N9O2S/c29-23-5-1-2-7-25(23)39-22-17-30-27(31-18-22)36-12-14-37(15-13-36)28-33-19-32-26(35-28)34-21-10-8-20(9-11-21)24-6-3-4-16-38-24;1-39-23-4-2-3-20(12-23)11-21-13-29-26(30-14-21)36-6-8-37(9-7-36)27-32-19-31-25(35-27)34-22-15-33-38(17-22)18-24-16-28-5-10-40-24;1-27(39,20-5-3-2-4-6-20)21-13-29-25(30-14-21)36-8-10-37(11-9-36)26-32-19-31-24(35-26)34-22-15-33-38(17-22)18-23-16-28-7-12-40-23;1-34(2)39(37,38)19-22-8-10-24(11-9-22)32-25-30-20-31-27(33-25)36-14-12-35(13-15-36)26-28-17-23(18-29-26)16-21-6-4-3-5-7-21/h1-2,5,7-11,17-19,24H,3-4,6,12-16H2,(H,32,33,34,35);2-4,12-15,17,19,24,28H,5-11,16,18H2,1H3,(H,31,32,34,35);2-6,13-15,17,19,23,28,39H,7-12,16,18H2,1H3,(H,31,32,34,35);3-11,17-18,20H,12-16,19H2,1-2H3,(H,30,31,32,33)/t;24-;23-,27?;/m.00./s1
InChIKeyKXVLDHKTMYFKGI-UPPQSSOSSA-N
XLogP10.67
TPSA486.07 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds33
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.60
LogP ≤ 510.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Analyze 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol with MolForge

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Related Compounds

N-[4-[6-[2-[[4-[[4-(4-ethoxy-3-fluorophenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-5-methoxyphenyl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]benzenesulfonamide
CID 123523535
5-chloro-2-N-[4-(1-methylpiperidin-4-yl)-2-(trifluoromethoxy)phenyl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-2-N-[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 159192770
4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 157444572
4-[4-(4-amino-5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1,3,5-triazin-2-amine;4-[4-(4-amino-5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1,3,5-triazin-2-amine;(2S)-3-[4-[[4-[(3R)-4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]-3-methylpiperazin-1-yl]-1,3,5-triazin-2-yl]amino]-5-methylpyrazol-1-yl]propane-1,2-diol
CID 158275731
2-N-[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methyl-2-propan-2-yloxyphenyl]-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-[2,7-dimethyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;5-methyl-2-N-[4-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 158884977
2-[4-[[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[(4-fluoropiperidin-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;N-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]-2,2-dioxo-3,4-dihydro-1H-2lambda6,3-benzothiazin-6-amine;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(phenoxymethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 159460901
2-N-[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-methyl-2-propan-2-yloxyphenyl]-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 161405253

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol?
The IUPAC name of 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol (CID 159272056) is 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol.
What is the SMILES notation for 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol?
The canonical SMILES for 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol is CC(O)(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(C[C@@H]5CNCCO5)c4)n3)CC2)nc1.CN(C)S(=O)(=O)Cc1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.COc1cccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)c1.Fc1ccccc1Sc1cnc(N2CCN(c3ncnc(Nc4ccc(C5CCCCO5)cc4)n3)CC2)nc1.
What is the InChIKey of 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol?
The InChIKey is KXVLDHKTMYFKGI-UPPQSSOSSA-N. The full InChI is InChI=1S/C28H29FN8OS.2C27H33N11O2.C27H31N9O2S/c29-23-5-1-2-7-25(23)39-22-17-30-27(31-18-22)36-12-14-37(15-13-36)28-33-19-32-26(35-28)34-21-10-8-20(9-11-21)24-6-3-4-16-38-24;1-39-23-4-2-3-20(12-23)11-21-13-29-26(30-14-21)36-6-8-37(9-7-36)27-32-19-31-25(35-27)34-22-15-33-38(17-22)18-24-16-28-5-10-40-24;1-27(39,20-5-3-2-4-6-20)21-13-29-25(30-14-21)36-8-10-37(11-9-36)26-32-19-31-24(35-26)34-22-15-33-38(17-22)18-23-16-28-7-12-40-23;1-34(2)39(37,38)19-22-8-10-24(11-9-22)32-25-30-20-31-27(33-25)36-14-12-35(13-15-36)26-28-17-23(18-29-26)16-21-6-4-3-5-7-21/h1-2,5,7-11,17-19,24H,3-4,6,12-16H2,(H,32,33,34,35);2-4,12-15,17,19,24,28H,5-11,16,18H2,1H3,(H,31,32,34,35);2-6,13-15,17,19,23,28,39H,7-12,16,18H2,1H3,(H,31,32,34,35);3-11,17-18,20H,12-16,19H2,1-2H3,(H,30,31,32,33)/t;24-;23-,27?;/m.00./s1.
What are the key properties of 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol?
1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol has a molecular weight of 2177.60 g/mol, XLogP of 10.67, 33 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol is sourced from PubChem (CID 159272056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).