1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine

C14H17N3O2 — CID 62748617

IUPAC1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-15-9-11-6-7-16-14(17-11)10-4-5-12(18-2)13(8-10)19-3/h4-8,15H,9H2,1-3H3
InChIKeySSAVMUJGHCVBNS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 62748617) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID62748617
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H17N3O2/c1-15-9-11-6-7-16-14(17-11)10-4-5-12(18-2)13(8-10)19-3/h4-8,15H,9H2,1-3H3
InChIKeySSAVMUJGHCVBNS-UHFFFAOYSA-N
XLogP1.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine 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

1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
1-[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 107915528
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200
2-(3,4-dimethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318946
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876699
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine (CID 62748617) is 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1ccnc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is SSAVMUJGHCVBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-9-11-6-7-16-14(17-11)10-4-5-12(18-2)13(8-10)19-3/h4-8,15H,9H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 259.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62748617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).