5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine

C21H21ClN4 — CID 172591502

IUPAC5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21ClN4/c22-19-14-24-21(25-18-9-11-23-12-10-18)26-20(19)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14,18,23H,9-12H2,(H,24,25,26)
InChIKeyKONPHBAJFOWMML-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.63
Rot. Bonds4

About 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine

5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 172591502) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID172591502
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21ClN4/c22-19-14-24-21(25-18-9-11-23-12-10-18)26-20(19)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14,18,23H,9-12H2,(H,24,25,26)
InChIKeyKONPHBAJFOWMML-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
2-bromo-N-[4-[[5-chloro-4-[3-(4-fluorophenyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591552
4-N-[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 172590735
5-fluoro-4-(7-phenylimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 135289915
methyl 2-[4-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]piperidin-1-yl]acetate
CID 172592335
N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590903
1-[3-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]phenyl]pyridin-2-one
CID 172591905
5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 68953885
3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 177142704
5-fluoro-4-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-N-piperidin-4-ylpyrimidin-2-amine
CID 172592365
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine (CID 172591502) is 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine is Clc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is KONPHBAJFOWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c22-19-14-24-21(25-18-9-11-23-12-10-18)26-20(19)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14,18,23H,9-12H2,(H,24,25,26).
What are the key properties of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 364.88 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172591502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).