2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide

C13H14N4O2 — CID 54854055

IUPAC2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C13H14N4O2/c1-15-12(18)11-7-10(16-13(14)17-11)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyJIKBBNAVXFNWOT-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide

2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide (PubChem CID 54854055) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
PubChem CID54854055
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C13H14N4O2/c1-15-12(18)11-7-10(16-13(14)17-11)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyJIKBBNAVXFNWOT-UHFFFAOYSA-N
XLogP1.09
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide (CID 54854055) is 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide is CNC(=O)c1cc(-c2ccc(OC)cc2)nc(N)n1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide?
The InChIKey is JIKBBNAVXFNWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-15-12(18)11-7-10(16-13(14)17-11)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H,15,18)(H2,14,16,17).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide?
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 54854055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).