N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C20H28N4O — CID 112920951

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C20H28N4O/c1-15-7-6-12-24(14-15)20-22-16(2)13-19(23-20)21-11-10-17-8-4-5-9-18(17)25-3/h4-5,8-9,13,15H,6-7,10-12,14H2,1-3H3,(H,21,22,23)
InChIKeyQWKFHVKONDYRIN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112920951) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112920951
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(C)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C20H28N4O/c1-15-7-6-12-24(14-15)20-22-16(2)13-19(23-20)21-11-10-17-8-4-5-9-18(17)25-3/h4-5,8-9,13,15H,6-7,10-12,14H2,1-3H3,(H,21,22,23)
InChIKeyQWKFHVKONDYRIN-UHFFFAOYSA-N
XLogP3.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-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-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112922389
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911109
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
6-methyl-2-(3-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112926246
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926199
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112920951) is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COc1ccccc1CCNc1cc(C)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is QWKFHVKONDYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-7-6-12-24(14-15)20-22-16(2)13-19(23-20)21-11-10-17-8-4-5-9-18(17)25-3/h4-5,8-9,13,15H,6-7,10-12,14H2,1-3H3,(H,21,22,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112920951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).