2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

C13H15N3O — CID 62190614

IUPAC2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C13H15N3O/c1-14-12-7-8-15-13(16-12)9-10-3-5-11(17-2)6-4-10/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyYPUCOJJOCOMNCA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.12
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 62190614) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID62190614
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C13H15N3O/c1-14-12-7-8-15-13(16-12)9-10-3-5-11(17-2)6-4-10/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyYPUCOJJOCOMNCA-UHFFFAOYSA-N
XLogP2.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-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

[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
CID 62748660
6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190921
6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62321169
N-methyl-2-propylpyrimidin-4-amine
CID 62192009
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
CID 133443170
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
CID 133442724
ethane;2-methoxy-N-methylpyrimidin-4-amine
CID 169237983
2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
CID 62191844
2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine
CID 65128120
2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167666790
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (CID 62190614) is 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is CNc1ccnc(Cc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is YPUCOJJOCOMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-12-7-8-15-13(16-12)9-10-3-5-11(17-2)6-4-10/h3-8H,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62190614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).