5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine

C25H29ClN4O — CID 167312393

IUPAC5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)ncc2Cl)c(OC(C)C)cc1C1CCNCC1
InChIInChI=1S/C25H29ClN4O/c1-16(2)31-23-14-20(18-9-11-27-12-10-18)17(3)13-22(23)29-25-21(26)15-28-24(30-25)19-7-5-4-6-8-19/h4-8,13-16,18,27H,9-12H2,1-3H3,(H,28,29,30)
InChIKeyLKRINMKLPCVYQU-UHFFFAOYSA-N
MW436.99 g/mol
LogP6.10
Rot. Bonds6

About 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine

5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 167312393) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine
PubChem CID167312393
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)ncc2Cl)c(OC(C)C)cc1C1CCNCC1
InChIInChI=1S/C25H29ClN4O/c1-16(2)31-23-14-20(18-9-11-27-12-10-18)17(3)13-22(23)29-25-21(26)15-28-24(30-25)19-7-5-4-6-8-19/h4-8,13-16,18,27H,9-12H2,1-3H3,(H,28,29,30)
InChIKeyLKRINMKLPCVYQU-UHFFFAOYSA-N
XLogP6.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(2-cyclobutylsulfonylphenyl)-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 71764055
5-chloro-4-N-[1-methyl-3-(3-methylbutan-2-ylsulfonyl)pyrazol-4-yl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 127034224
5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(6-propan-2-ylsulfonylcyclohexa-1,5-dien-1-yl)pyrimidine-2,4-diamine
CID 146656866
5-chloro-2-N-[5-methyl-4-[4-(methylamino)cyclohexyl]-2-propan-2-yloxyphenyl]-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;formaldehyde;2-methylpropane
CID 143694718
5-methyl-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71764054
5-chloro-2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 135320645
5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 176671649
5-chloro-4-N-(2-cyclobutylsulfonylphenyl)-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine
CID 25159617
4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 162046242
[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 59764375
5-methyl-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine
CID 59764421
[2-[[5-chloro-2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 59764379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine (CID 167312393) is 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine is Cc1cc(Nc2nc(-c3ccccc3)ncc2Cl)c(OC(C)C)cc1C1CCNCC1.
What is the InChIKey of 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is LKRINMKLPCVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-16(2)31-23-14-20(18-9-11-27-12-10-18)17(3)13-22(23)29-25-21(26)15-28-24(30-25)19-7-5-4-6-8-19/h4-8,13-16,18,27H,9-12H2,1-3H3,(H,28,29,30).
What are the key properties of 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine?
5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 436.99 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 167312393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).