N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C16H19ClN4 — CID 112856024

IUPACN-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESClc1ccc(CNc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C16H19ClN4/c17-14-6-4-13(5-7-14)11-18-15-10-16(20-12-19-15)21-8-2-1-3-9-21/h4-7,10,12H,1-3,8-9,11H2,(H,18,19,20)
InChIKeyRFXHTSCBGZQPES-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.73
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112856024) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112856024
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESClc1ccc(CNc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C16H19ClN4/c17-14-6-4-13(5-7-14)11-18-15-10-16(20-12-19-15)21-8-2-1-3-9-21/h4-7,10,12H,1-3,8-9,11H2,(H,18,19,20)
InChIKeyRFXHTSCBGZQPES-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133298868

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 112856024) is N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is Clc1ccc(CNc2cc(N3CCCCC3)ncn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is RFXHTSCBGZQPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-14-6-4-13(5-7-14)11-18-15-10-16(20-12-19-15)21-8-2-1-3-9-21/h4-7,10,12H,1-3,8-9,11H2,(H,18,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 302.81 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).