5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

C27H32ClN5 — CID 175823730

IUPAC5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESClc1ccc(-c2cnc(-c3cccnc3)nc2NCC2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C27H32ClN5/c28-23-12-10-21(11-13-23)25-18-31-26(22-7-4-14-29-17-22)32-27(25)30-16-20-6-5-15-33(19-20)24-8-2-1-3-9-24/h4,7,10-14,17-18,20,24H,1-3,5-6,8-9,15-16,19H2,(H,30,31,32)
InChIKeyUDFJSNNUJPOSNM-UHFFFAOYSA-N
MW462.04 g/mol
LogP6.32
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 175823730) has the molecular formula C27H32ClN5 and a molecular weight of 462.04 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID175823730
Molecular FormulaC27H32ClN5
Molecular Weight462.04 g/mol
Exact Mass461.23
IUPAC Name5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESClc1ccc(-c2cnc(-c3cccnc3)nc2NCC2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C27H32ClN5/c28-23-12-10-21(11-13-23)25-18-31-26(22-7-4-14-29-17-22)32-27(25)30-16-20-6-5-15-33(19-20)24-8-2-1-3-9-24/h4,7,10-14,17-18,20,24H,1-3,5-6,8-9,15-16,19H2,(H,30,31,32)
InChIKeyUDFJSNNUJPOSNM-UHFFFAOYSA-N
XLogP6.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.04
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-2-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 175823716
5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine
CID 175823724
5-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 175823739
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]azepan-3-ol
CID 156865963
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 122564166
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
ethyl 4-[3-[5-(2-fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 45216418
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 72907175
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 175823730) is 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is Clc1ccc(-c2cnc(-c3cccnc3)nc2NCC2CCCN(C3CCCCC3)C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is UDFJSNNUJPOSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5/c28-23-12-10-21(11-13-23)25-18-31-26(22-7-4-14-29-17-22)32-27(25)30-16-20-6-5-15-33(19-20)24-8-2-1-3-9-24/h4,7,10-14,17-18,20,24H,1-3,5-6,8-9,15-16,19H2,(H,30,31,32).
What are the key properties of 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 462.04 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 175823730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).