N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide

C13H12N4O2S — CID 16876410

IUPACN-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
SMILESNC(=O)NC(=O)CSc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C13H12N4O2S/c14-13(19)17-11(18)7-20-12-6-10(15-8-16-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,14,17,18,19)
InChIKeyNIXGEASVEORCAB-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.43
Rot. Bonds4

About N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide

N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 16876410) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
PubChem CID16876410
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
SMILESNC(=O)NC(=O)CSc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C13H12N4O2S/c14-13(19)17-11(18)7-20-12-6-10(15-8-16-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,14,17,18,19)
InChIKeyNIXGEASVEORCAB-UHFFFAOYSA-N
XLogP1.43
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]-N-phenylacetamide
CID 665238
2-[2-(Carboxymethylthio)-6-phenylpyrimidin-4-ylthio]acetic acid
CID 2772554
N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide
CID 871711
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679
N-(3-hydroxypropyl)-2-(quinazolin-4-ylsulfanyl)acetamide
CID 2141449
2-{[6-methyl-2-(methylthio)-4-pyrimidinyl]thio}-N-phenylacetamide
CID 2217946
N-(3-chloro-2-methylphenyl)-2-(6-phenylpyrimidin-4-ylthio)acetamide
CID 16015068
2-((2,6-Dimethyl-4-pyrimidinyl)thio)-N-(2-methylphenyl)acetamide
CID 5169479
N-(2-phenylethyl)-2-(quinazolin-4-ylsulfanyl)acetamide
CID 2595072
1-(2-Quinazolin-4-ylsulfanylacetyl)imidazolidin-2-one
CID 9323585
N-{3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 877511

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide (CID 16876410) is N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide is NC(=O)NC(=O)CSc1cc(-c2ccccc2)ncn1.
What is the InChIKey of N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is NIXGEASVEORCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-13(19)17-11(18)7-20-12-6-10(15-8-16-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,14,17,18,19).
What are the key properties of N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide?
N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 288.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16876410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).