N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

C18H23ClN4 — CID 112868832

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(N2CCCCC2)n1
InChIInChI=1S/C18H23ClN4/c1-14-21-17(13-18(22-14)23-11-3-2-4-12-23)20-10-9-15-5-7-16(19)8-6-15/h5-8,13H,2-4,9-12H2,1H3,(H,20,21,22)
InChIKeyCRUSGMADAUXLPF-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112868832) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112868832
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(N2CCCCC2)n1
InChIInChI=1S/C18H23ClN4/c1-14-21-17(13-18(22-14)23-11-3-2-4-12-23)20-10-9-15-5-7-16(19)8-6-15/h5-8,13H,2-4,9-12H2,1H3,(H,20,21,22)
InChIKeyCRUSGMADAUXLPF-UHFFFAOYSA-N
XLogP4.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876534
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112868832) is N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is Cc1nc(NCCc2ccc(Cl)cc2)cc(N2CCCCC2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is CRUSGMADAUXLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-14-21-17(13-18(22-14)23-11-3-2-4-12-23)20-10-9-15-5-7-16(19)8-6-15/h5-8,13H,2-4,9-12H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).