4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide

C13H14N4O2 — CID 83567298

IUPAC4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2cccc(OC)c2)nc1N
InChIInChI=1S/C13H14N4O2/c1-15-13(18)10-7-16-12(17-11(10)14)8-4-3-5-9(6-8)19-2/h3-7H,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyYMDCAUVIXNQALP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.09
Rot. Bonds3

About 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide

4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide (PubChem CID 83567298) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
PubChem CID83567298
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2cccc(OC)c2)nc1N
InChIInChI=1S/C13H14N4O2/c1-15-13(18)10-7-16-12(17-11(10)14)8-4-3-5-9(6-8)19-2/h3-7H,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyYMDCAUVIXNQALP-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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Related Compounds

4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 83567312
methyl 4-chloro-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169042
methyl 4-amino-2-(3-bromophenyl)pyrimidine-5-carboxylate
CID 116646647
4-(difluoromethyl)-2-(3-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 62891615
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 117225486
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide (CID 83567298) is 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2cccc(OC)c2)nc1N.
What is the InChIKey of 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide?
The InChIKey is YMDCAUVIXNQALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-15-13(18)10-7-16-12(17-11(10)14)8-4-3-5-9(6-8)19-2/h3-7H,1-2H3,(H,15,18)(H2,14,16,17).
What are the key properties of 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide?
4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-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 4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).