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

C15H17N3OS — CID 6625834

IUPACN-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(SC)nc2C)cc1
InChIInChI=1S/C15H17N3OS/c1-4-11-5-7-12(8-6-11)18-14(19)13-9-16-15(20-3)17-10(13)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeySPPKPCBLUHTHGO-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.32
Rot. Bonds4

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

N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 6625834) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID6625834
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(SC)nc2C)cc1
InChIInChI=1S/C15H17N3OS/c1-4-11-5-7-12(8-6-11)18-14(19)13-9-16-15(20-3)17-10(13)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeySPPKPCBLUHTHGO-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 6625834) is N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(SC)nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is SPPKPCBLUHTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-11-5-7-12(8-6-11)18-14(19)13-9-16-15(20-3)17-10(13)2/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 6625834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).