2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide

C18H24N4O3S — CID 72939948

IUPAC2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(N(C)C)nc1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N4O3S/c1-6-16(13-7-9-14(10-8-13)26(5,24)25)21-17(23)15-11-19-18(22(3)4)20-12(15)2/h7-11,16H,6H2,1-5H3,(H,21,23)
InChIKeyJHKVIFTUERJSIK-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.14
Rot. Bonds6

About 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide

2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide (PubChem CID 72939948) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide
PubChem CID72939948
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(N(C)C)nc1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N4O3S/c1-6-16(13-7-9-14(10-8-13)26(5,24)25)21-17(23)15-11-19-18(22(3)4)20-12(15)2/h7-11,16H,6H2,1-5H3,(H,21,23)
InChIKeyJHKVIFTUERJSIK-UHFFFAOYSA-N
XLogP2.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
2-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-3-nitrobenzamide
CID 99995319
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
1-(5-methyl-2-pyridinyl)-3-[(1S)-1-(4-methylsulfonylphenyl)propyl]thiourea
CID 100736006
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide (CID 72939948) is 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(N(C)C)nc1C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide?
The InChIKey is JHKVIFTUERJSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-6-16(13-7-9-14(10-8-13)26(5,24)25)21-17(23)15-11-19-18(22(3)4)20-12(15)2/h7-11,16H,6H2,1-5H3,(H,21,23).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72939948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).