N-methyl-4-(pyrimidin-4-ylamino)benzamide

C12H12N4O — CID 59225958

IUPACN-methyl-4-(pyrimidin-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C12H12N4O/c1-13-12(17)9-2-4-10(5-3-9)16-11-6-7-14-8-15-11/h2-8H,1H3,(H,13,17)(H,14,15,16)
InChIKeyKFWSIBGBQSQAPY-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.58
Rot. Bonds3

About N-methyl-4-(pyrimidin-4-ylamino)benzamide

N-methyl-4-(pyrimidin-4-ylamino)benzamide (PubChem CID 59225958) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-methyl-4-(pyrimidin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(pyrimidin-4-ylamino)benzamide
PubChem CID59225958
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-methyl-4-(pyrimidin-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C12H12N4O/c1-13-12(17)9-2-4-10(5-3-9)16-11-6-7-14-8-15-11/h2-8H,1H3,(H,13,17)(H,14,15,16)
InChIKeyKFWSIBGBQSQAPY-UHFFFAOYSA-N
XLogP1.58
TPSA66.91 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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
4-(pyrimidin-4-ylamino)phenol
CID 115017243
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11653665
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117087947
2-methoxy-4-(pyrimidin-4-ylamino)benzoic acid
CID 107208955
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
N-methylpyrimidin-4-amine;propanedioic acid
CID 70381240
N-[4-[2-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
CID 87739956
4-hydrazinyl-N-methylbenzamide
CID 20649402

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyrimidin-4-ylamino)benzamide?
The IUPAC name of N-methyl-4-(pyrimidin-4-ylamino)benzamide (CID 59225958) is N-methyl-4-(pyrimidin-4-ylamino)benzamide.
What is the SMILES notation for N-methyl-4-(pyrimidin-4-ylamino)benzamide?
The canonical SMILES for N-methyl-4-(pyrimidin-4-ylamino)benzamide is CNC(=O)c1ccc(Nc2ccncn2)cc1.
What is the InChIKey of N-methyl-4-(pyrimidin-4-ylamino)benzamide?
The InChIKey is KFWSIBGBQSQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-13-12(17)9-2-4-10(5-3-9)16-11-6-7-14-8-15-11/h2-8H,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-methyl-4-(pyrimidin-4-ylamino)benzamide?
N-methyl-4-(pyrimidin-4-ylamino)benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 59225958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).