N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine

C17H21ClN4 — CID 112856110

IUPACN-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C17H21ClN4/c1-12-8-13(2)17(14(18)9-12)21-15-10-16(20-11-19-15)22-6-4-3-5-7-22/h8-11H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyWDJQFDWODHXHAE-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.48
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine

N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112856110) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112856110
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C17H21ClN4/c1-12-8-13(2)17(14(18)9-12)21-15-10-16(20-11-19-15)22-6-4-3-5-7-22/h8-11H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyWDJQFDWODHXHAE-UHFFFAOYSA-N
XLogP4.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941921
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
N-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine (CID 112856110) is N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine is Cc1cc(C)c(Nc2cc(N3CCCCC3)ncn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is WDJQFDWODHXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-8-13(2)17(14(18)9-12)21-15-10-16(20-11-19-15)22-6-4-3-5-7-22/h8-11H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine?
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112856110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).