5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

C69H78N24O2 — CID 160750209

IUPAC5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CNCCO4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@H]4CCNC[C@H]4O)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCNC4)n3)c2)cn1
InChIInChI=1S/C24H28N8O.C23H26N8O.C22H24N8/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19;1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18;1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29);3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28);3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-,22-;;18-/m1.0/s1
InChIKeyRWSGQZKXWGYNFX-DRYWNDSFSA-N
MW1275.55 g/mol
LogP7.39
Rot. Bonds17

About 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 160750209) has the molecular formula C69H78N24O2 and a molecular weight of 1275.55 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID160750209
Molecular FormulaC69H78N24O2
Molecular Weight1275.55 g/mol
Exact Mass1274.67
IUPAC Name5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CNCCO4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@H]4CCNC[C@H]4O)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCNC4)n3)c2)cn1
InChIInChI=1S/C24H28N8O.C23H26N8O.C22H24N8/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19;1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18;1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29);3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28);3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-,22-;;18-/m1.0/s1
InChIKeyRWSGQZKXWGYNFX-DRYWNDSFSA-N
XLogP7.39
TPSA285.90 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001275.55
LogP ≤ 57.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol
CID 121357817
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
(3S)-1-[4-[[4-[4-[5-[[3-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[[1-[[(2S)-4-ethylmorpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]-4-fluorophenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol
CID 144832629
3-[3-[2-[[2-(2,2-difluoroethyl)pyrazol-3-yl]amino]-6-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-4-yl]-5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
CID 155376547
5-[1-[(3R)-3-(4,4-difluoropiperidin-1-yl)cyclohexyl]pyrazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine;N-[(1R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]oxolan-3-amine
CID 157148364
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[2-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]propane-1,3-diamine
CID 157415743
N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;2-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]butan-2-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine
CID 157955004
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-3-ylmethyl)pyrimidin-4-amine;2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(6-methyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine;1,1,1-trifluoro-3-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 158054802
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;bis(3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol)
CID 158395721
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;N-[(3-fluorooxetan-3-yl)methyl]-N-methyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;bis(3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclobutan-1-ol)
CID 158452092
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 158476129
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 159003066

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 160750209) is 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CNCCO4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@H]4CCNC[C@H]4O)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCNC4)n3)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is RWSGQZKXWGYNFX-DRYWNDSFSA-N. The full InChI is InChI=1S/C24H28N8O.C23H26N8O.C22H24N8/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19;1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18;1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29);3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28);3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-,22-;;18-/m1.0/s1.
What are the key properties of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 1275.55 g/mol, XLogP of 7.39, 17 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 160750209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).