[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

C36H37Cl2FN12O3 — CID 159578643

IUPAC[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.OCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H18ClFN6O.C18H19ClN6O2/c19-13-1-3-14(4-2-13)21-16-11-17(25-7-9-27-10-8-25)23-18(22-16)26-6-5-15(12-20)24-26;19-13-1-3-14(4-2-13)20-16-11-17(24-7-9-27-10-8-24)22-18(21-16)25-6-5-15(12-26)23-25/h1-6,11H,7-10,12H2,(H,21,22,23);1-6,11,26H,7-10,12H2,(H,20,21,22)
InChIKeyMISNOVQMNSEULF-UHFFFAOYSA-N
MW775.68 g/mol
LogP5.75
Rot. Bonds10

About [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 159578643) has the molecular formula C36H37Cl2FN12O3 and a molecular weight of 775.68 g/mol. Its IUPAC name is [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID159578643
Molecular FormulaC36H37Cl2FN12O3
Molecular Weight775.68 g/mol
Exact Mass774.25
IUPAC Name[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.OCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C18H18ClFN6O.C18H19ClN6O2/c19-13-1-3-14(4-2-13)21-16-11-17(25-7-9-27-10-8-25)23-18(22-16)26-6-5-15(12-20)24-26;19-13-1-3-14(4-2-13)20-16-11-17(24-7-9-27-10-8-24)22-18(21-16)25-6-5-15(12-26)23-25/h1-6,11H,7-10,12H2,(H,21,22,23);1-6,11,26H,7-10,12H2,(H,20,21,22)
InChIKeyMISNOVQMNSEULF-UHFFFAOYSA-N
XLogP5.75
TPSA156.43 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.68
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Launch Full Analysis

Related Compounds

[1-[4-(4-Fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol
CID 132210808
4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine
CID 157106762
[1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazol-3-yl]methanol;4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 160508887
[1-[4-(4-Chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol
CID 132210777
1-[1-[4-(4-Chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol
CID 132219071
1-[1-[4-(4-Chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]ethanol
CID 132226500
2-[1-[4-(4-Chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]propan-2-ol
CID 132226504
4-chloroaniline;2-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]propan-2-ol;2-chloro-N-(4-chlorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine;2,6-dichloro-N-(4-chlorophenyl)pyrimidin-4-amine;2-oxa-6-azaspiro[3.3]heptane;2-(1H-pyrazol-5-yl)propan-2-ol;2,4,6-trichloropyrimidine
CID 158369701
1-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]ethanol;N-(4-chlorophenyl)-2-[3-(1-fluoroethyl)pyrazol-1-yl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
CID 158837345
[1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;2-[3-(fluoromethyl)pyrazol-1-yl]-N-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 159653737
1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carbaldehyde;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 160093279
3-amino-5-iminopent-3-en-2-one;2-chloro-N-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine;4-(2,6-dichloropyrimidin-4-yl)morpholine;1-[1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]ethanone;N-(4-fluorophenyl)formamide;morpholine;2,4,6-trichloropyrimidine
CID 160192615

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (CID 159578643) is [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is FCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.OCc1ccn(-c2nc(Nc3ccc(Cl)cc3)cc(N3CCOCC3)n2)n1.
What is the InChIKey of [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MISNOVQMNSEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O.C18H19ClN6O2/c19-13-1-3-14(4-2-13)21-16-11-17(25-7-9-27-10-8-25)23-18(22-16)26-6-5-15(12-20)24-26;19-13-1-3-14(4-2-13)20-16-11-17(24-7-9-27-10-8-24)22-18(21-16)25-6-5-15(12-26)23-25/h1-6,11H,7-10,12H2,(H,21,22,23);1-6,11,26H,7-10,12H2,(H,20,21,22).
What are the key properties of [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 775.68 g/mol, XLogP of 5.75, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 159578643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).