5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide

C15H16ClN3OS — CID 6462190

IUPAC5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1nc(SC)ncc1Cl)c1cccc(C)c1
InChIInChI=1S/C15H16ClN3OS/c1-4-19(11-7-5-6-10(2)8-11)14(20)13-12(16)9-17-15(18-13)21-3/h5-9H,4H2,1-3H3
InChIKeyRVDNFTDTAMZQTA-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.83
Rot. Bonds4

About 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 6462190) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID6462190
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1nc(SC)ncc1Cl)c1cccc(C)c1
InChIInChI=1S/C15H16ClN3OS/c1-4-19(11-7-5-6-10(2)8-11)14(20)13-12(16)9-17-15(18-13)21-3/h5-9H,4H2,1-3H3
InChIKeyRVDNFTDTAMZQTA-UHFFFAOYSA-N
XLogP3.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-hydroxy-N-(3-methylphenyl)pyridine-2-carboxamide
CID 61104536
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020747
5-chloro-N-[(2,4-dimethylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46590925
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 43356366
5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 43051815
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 24676476
5-chloro-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46586010
N-ethyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 110696261
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide (CID 6462190) is 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide is CCN(C(=O)c1nc(SC)ncc1Cl)c1cccc(C)c1.
What is the InChIKey of 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is RVDNFTDTAMZQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-4-19(11-7-5-6-10(2)8-11)14(20)13-12(16)9-17-15(18-13)21-3/h5-9H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 6462190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).