N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C19H25ClN4O2 — CID 112926257

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C)nc(N3CCCC(C)C3)n2)c(OC)cc1Cl
InChIInChI=1S/C19H25ClN4O2/c1-12-6-5-7-24(11-12)19-21-13(2)8-18(23-19)22-15-10-16(25-3)14(20)9-17(15)26-4/h8-10,12H,5-7,11H2,1-4H3,(H,21,22,23)
InChIKeyIAQOMPCNYVFFEO-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.44
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112926257) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112926257
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cc(C)nc(N3CCCC(C)C3)n2)c(OC)cc1Cl
InChIInChI=1S/C19H25ClN4O2/c1-12-6-5-7-24(11-12)19-21-13(2)8-18(23-19)22-15-10-16(25-3)14(20)9-17(15)26-4/h8-10,12H,5-7,11H2,1-4H3,(H,21,22,23)
InChIKeyIAQOMPCNYVFFEO-UHFFFAOYSA-N
XLogP4.44
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidin-4-amine
CID 112926765
6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112926246
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
N-(4-chloro-2-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926194
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175
N-(2-bromophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926236
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238
6-methyl-2-(3-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112926182
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112926257) is N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COc1cc(Nc2cc(C)nc(N3CCCC(C)C3)n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is IAQOMPCNYVFFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-12-6-5-7-24(11-12)19-21-13(2)8-18(23-19)22-15-10-16(25-3)14(20)9-17(15)26-4/h8-10,12H,5-7,11H2,1-4H3,(H,21,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 376.89 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112926257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).