2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

C12H13N3O — CID 3233159

IUPAC2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccccc2OC)n1
InChIInChI=1S/C12H13N3O/c1-13-11-7-8-14-12(15-11)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3,(H,13,14,15)
InChIKeyMRWJOYWTJBFRRO-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 3233159) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID3233159
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccccc2OC)n1
InChIInChI=1S/C12H13N3O/c1-13-11-7-8-14-12(15-11)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3,(H,13,14,15)
InChIKeyMRWJOYWTJBFRRO-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 3233159) is 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is CNc1ccnc(-c2ccccc2OC)n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is MRWJOYWTJBFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-11-7-8-14-12(15-11)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3233159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).