4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide

C15H16FN3OS — CID 20913801

IUPAC4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCc1nc(SC)ncc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C15H16FN3OS/c1-4-12-11(8-17-15(19-12)21-3)14(20)18-13-6-5-10(16)7-9(13)2/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyDVUJNOWTPARZIA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.46
Rot. Bonds4

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

4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913801) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913801
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCc1nc(SC)ncc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C15H16FN3OS/c1-4-12-11(8-17-15(19-12)21-3)14(20)18-13-6-5-10(16)7-9(13)2/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyDVUJNOWTPARZIA-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
2-chloro-N-(4-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780354
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913823
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 46276390
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913801) is 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is CCc1nc(SC)ncc1C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is DVUJNOWTPARZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-4-12-11(8-17-15(19-12)21-3)14(20)18-13-6-5-10(16)7-9(13)2/h5-8H,4H2,1-3H3,(H,18,20).
What are the key properties of 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide?
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).