4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

C14H15N3OS — CID 20913554

IUPAC4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2C)c(C)n1
InChIInChI=1S/C14H15N3OS/c1-9-6-4-5-7-12(9)17-13(18)11-8-15-14(19-3)16-10(11)2/h4-8H,1-3H3,(H,17,18)
InChIKeyRLUHDIDOVJUVED-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.07
Rot. Bonds3

About 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913554) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913554
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2C)c(C)n1
InChIInChI=1S/C14H15N3OS/c1-9-6-4-5-7-12(9)17-13(18)11-8-15-14(19-3)16-10(11)2/h4-8H,1-3H3,(H,17,18)
InChIKeyRLUHDIDOVJUVED-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 9910975
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
8-Methyl-2-[(Pyrimidin-2-Ylsulfanyl)methyl]quinazolin-4(1h)-One
CID 135566723
7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one
CID 137332078
PARP11 inhibitor ITK7
CID 137701959
N-(3-fluoro-4-methylphenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2592809
2-(methylthio)-N-phenyl-5-pyrimidinecarboxamide
CID 2231248
N-(2-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899660
2-amino-N-(pyridin-2-yl)benzamide
CID 276325
N-[2-(pyrimidin-2-ylsulfanyl)acetyl]benzamide
CID 728064
2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 1487911
N-(4-ethylphenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 6625834

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913554) is 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccccc2C)c(C)n1.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is RLUHDIDOVJUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-6-4-5-7-12(9)17-13(18)11-8-15-14(19-3)16-10(11)2/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).