[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol

C62H72F4N18O6 — CID 161149384

IUPAC[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc(N3CCO[C@@H](CO)C3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc(N3CCO[C@H](CO)C3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(F)c(F)c3)cc(N3CCOC(CO)C3)n2)n1
InChIInChI=1S/2C21H25FN6O2.C20H22F2N6O2/c2*1-13-4-5-16(9-18(13)22)23-19-10-20(27-6-7-30-17(11-27)12-29)25-21(24-19)28-15(3)8-14(2)26-28;1-12-7-13(2)28(26-12)20-24-18(23-14-3-4-16(21)17(22)8-14)9-19(25-20)27-5-6-30-15(10-27)11-29/h2*4-5,8-10,17,29H,6-7,11-12H2,1-3H3,(H,23,24,25);3-4,7-9,15,29H,5-6,10-11H2,1-2H3,(H,23,24,25)/t2*17-;/m10./s1
InChIKeyUOLVLICAQMEAAP-PUTKXPNSSA-N
MW1241.37 g/mol
LogP7.83
Rot. Bonds15

About [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol

[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 161149384) has the molecular formula C62H72F4N18O6 and a molecular weight of 1241.37 g/mol. Its IUPAC name is [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID161149384
Molecular FormulaC62H72F4N18O6
Molecular Weight1241.37 g/mol
Exact Mass1240.58
IUPAC Name[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc(N3CCO[C@@H](CO)C3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc(N3CCO[C@H](CO)C3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(F)c(F)c3)cc(N3CCOC(CO)C3)n2)n1
InChIInChI=1S/2C21H25FN6O2.C20H22F2N6O2/c2*1-13-4-5-16(9-18(13)22)23-19-10-20(27-6-7-30-17(11-27)12-29)25-21(24-19)28-15(3)8-14(2)26-28;1-12-7-13(2)28(26-12)20-24-18(23-14-3-4-16(21)17(22)8-14)9-19(25-20)27-5-6-30-15(10-27)11-29/h2*4-5,8-10,17,29H,6-7,11-12H2,1-3H3,(H,23,24,25);3-4,7-9,15,29H,5-6,10-11H2,1-2H3,(H,23,24,25)/t2*17-;/m10./s1
InChIKeyUOLVLICAQMEAAP-PUTKXPNSSA-N
XLogP7.83
TPSA264.99 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.37
LogP ≤ 57.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol with MolForge

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Related Compounds

2-[3-[[2-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]pyridin-2-yl]-5-methylpyrazol-3-yl]methyl]-5-methylpyrazol-1-yl]-N-(4,4-difluorocyclohexyl)-6-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-4-amine
CID 132206935
[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 132219076
[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 132219077
4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine;2-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine;molecular hydrogen
CID 156832032
3-[[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]butan-2-one;1-[4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]ethanone;1-[(2R)-4-[6-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-2-yl]ethanone;1-[(2S)-4-[6-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-2-yl]ethanone
CID 157341916
4-[6-(2,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide;(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-fluoro-4-methylanilino)pyrimidin-4-yl]piperazine-2-carboxamide
CID 158436544
1-[4-[1-[6-(2-Ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-3-fluoropropan-2-ol;3-[4-[1-[6-(2-ethylmorpholin-4-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]-2-fluoropropan-1-ol;1-[3-fluoro-4-[1-[6-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-1-yl]propan-2-ol
CID 160795925
3-[4-[5-[2-(2,5-Difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propane-1,2-diol;3-[4-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propan-1-ol;2-(2-fluorophenyl)-4-[5-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
CID 161482793
N-[4-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol;4-(3-morpholin-4-ylphenyl)-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine
CID 161556928
6-chloro-N-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;3,4-difluoroaniline;[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;morpholin-2-ylmethanol
CID 161992064
2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol
CID 162181613

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol (CID 161149384) is [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol is Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc(N3CCO[C@@H](CO)C3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(C)c(F)c3)cc(N3CCO[C@H](CO)C3)n2)n1.Cc1cc(C)n(-c2nc(Nc3ccc(F)c(F)c3)cc(N3CCOC(CO)C3)n2)n1.
What is the InChIKey of [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is UOLVLICAQMEAAP-PUTKXPNSSA-N. The full InChI is InChI=1S/2C21H25FN6O2.C20H22F2N6O2/c2*1-13-4-5-16(9-18(13)22)23-19-10-20(27-6-7-30-17(11-27)12-29)25-21(24-19)28-15(3)8-14(2)26-28;1-12-7-13(2)28(26-12)20-24-18(23-14-3-4-16(21)17(22)8-14)9-19(25-20)27-5-6-30-15(10-27)11-29/h2*4-5,8-10,17,29H,6-7,11-12H2,1-3H3,(H,23,24,25);3-4,7-9,15,29H,5-6,10-11H2,1-2H3,(H,23,24,25)/t2*17-;/m10./s1.
What are the key properties of [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol?
[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 1241.37 g/mol, XLogP of 7.83, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 161149384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).