4-(2-methylanilino)pyrimidine-5-carboxamide

C12H12N4O — CID 175855018

IUPAC4-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1ncncc1C(N)=O
InChIInChI=1S/C12H12N4O/c1-8-4-2-3-5-10(8)16-12-9(11(13)17)6-14-7-15-12/h2-7H,1H3,(H2,13,17)(H,14,15,16)
InChIKeyPWKGSVURUUHETP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.63
Rot. Bonds3

About 4-(2-methylanilino)pyrimidine-5-carboxamide

4-(2-methylanilino)pyrimidine-5-carboxamide (PubChem CID 175855018) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-methylanilino)pyrimidine-5-carboxamide
PubChem CID175855018
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1ncncc1C(N)=O
InChIInChI=1S/C12H12N4O/c1-8-4-2-3-5-10(8)16-12-9(11(13)17)6-14-7-15-12/h2-7H,1H3,(H2,13,17)(H,14,15,16)
InChIKeyPWKGSVURUUHETP-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoroanilino)pyrimidine-5-carboxylic acid
CID 28906049
2-amino-3-(2-methylanilino)benzamide
CID 113332516
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
6-cyclopropyl-2-(2-methylanilino)pyridine-3-carboxamide
CID 162523863
4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 142718127
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide
CID 118462020
4-amino-6-(2-methylanilino)pyrimidine-5-carbaldehyde
CID 123774955
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-methylanilino)pyrimidine-5-carboxamide (CID 175855018) is 4-(2-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-methylanilino)pyrimidine-5-carboxamide is Cc1ccccc1Nc1ncncc1C(N)=O.
What is the InChIKey of 4-(2-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is PWKGSVURUUHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-4-2-3-5-10(8)16-12-9(11(13)17)6-14-7-15-12/h2-7H,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-(2-methylanilino)pyrimidine-5-carboxamide?
4-(2-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 175855018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).