5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine

C22H23ClN4 — CID 172591042

IUPAC5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
SMILESCN1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)CC1
InChIInChI=1S/C22H23ClN4/c1-27-12-10-19(11-13-27)25-22-24-15-20(23)21(26-22)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14-15,19H,10-13H2,1H3,(H,24,25,26)
InChIKeyZLSYEHKLUYKLHO-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.97
Rot. Bonds4

About 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine

5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine (PubChem CID 172591042) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
PubChem CID172591042
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
SMILESCN1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)CC1
InChIInChI=1S/C22H23ClN4/c1-27-12-10-19(11-13-27)25-22-24-15-20(23)21(26-22)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14-15,19H,10-13H2,1H3,(H,24,25,26)
InChIKeyZLSYEHKLUYKLHO-UHFFFAOYSA-N
XLogP4.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 172591502
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
methyl 2-[4-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]piperidin-1-yl]acetate
CID 172592335
tert-butyl N-[3-[4-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 172589871
4-N-[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 172590735
1-[3-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]phenyl]pyridin-2-one
CID 172591905
2-bromo-N-[4-[[5-chloro-4-[3-(4-fluorophenyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591552
N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590903
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 154995788
4-N-[5-chloro-4-[2-(3-methylbutylamino)-4-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 123154364
5-chloro-8-N-(1-methylpiperidin-4-yl)-2-N-phenylquinazoline-2,8-diamine
CID 173100889
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine (CID 172591042) is 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine is CN1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)CC1.
What is the InChIKey of 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine?
The InChIKey is ZLSYEHKLUYKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c1-27-12-10-19(11-13-27)25-22-24-15-20(23)21(26-22)18-9-5-8-17(14-18)16-6-3-2-4-7-16/h2-9,14-15,19H,10-13H2,1H3,(H,24,25,26).
What are the key properties of 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine?
5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine has a molecular weight of 378.91 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 172591042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).