N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine

C12H13N3O — CID 834781

IUPACN-[(2-methoxyphenyl)methyl]pyrimidin-5-amine
SMILESCOc1ccccc1CNc1cncnc1
InChIInChI=1S/C12H13N3O/c1-16-12-5-3-2-4-10(12)6-15-11-7-13-9-14-8-11/h2-5,7-9,15H,6H2,1H3
InChIKeyUASXIULUTAWFGB-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine

N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine (PubChem CID 834781) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyrimidin-5-amine
PubChem CID834781
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(2-methoxyphenyl)methyl]pyrimidin-5-amine
SMILESCOc1ccccc1CNc1cncnc1
InChIInChI=1S/C12H13N3O/c1-16-12-5-3-2-4-10(12)6-15-11-7-13-9-14-8-11/h2-5,7-9,15H,6H2,1H3
InChIKeyUASXIULUTAWFGB-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine (CID 834781) is N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine is COc1ccccc1CNc1cncnc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine?
The InChIKey is UASXIULUTAWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-12-5-3-2-4-10(12)6-15-11-7-13-9-14-8-11/h2-5,7-9,15H,6H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine?
N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine has a molecular weight of 215.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 834781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).