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

C18H23ClN4O2 — CID 112901090

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(N3CCCC(C)C3)n2)c(OC)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-5-4-8-23(11-12)17-6-7-20-18(22-17)21-14-10-15(24-2)13(19)9-16(14)25-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyAPWYWGOWTUKZEJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.13
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112901090) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112901090
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(N3CCCC(C)C3)n2)c(OC)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-5-4-8-23(11-12)17-6-7-20-18(22-17)21-14-10-15(24-2)13(19)9-16(14)25-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyAPWYWGOWTUKZEJ-UHFFFAOYSA-N
XLogP4.13
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960690
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909403
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888006
4-N-tert-butyl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112899784

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112901090) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is COc1cc(Nc2nccc(N3CCCC(C)C3)n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is APWYWGOWTUKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-5-4-8-23(11-12)17-6-7-20-18(22-17)21-14-10-15(24-2)13(19)9-16(14)25-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 362.86 g/mol, XLogP of 4.13, 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)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112901090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).