1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide

C19H22N4O4S — CID 7217106

IUPAC1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)cc1
InChIInChI=1S/C19H22N4O4S/c1-13-3-5-14(6-4-13)21-17(25)15-11-20-19(22(2)18(15)26)28-12-16(24)23-7-9-27-10-8-23/h3-6,11H,7-10,12H2,1-2H3,(H,21,25)
InChIKeyWEUXUEBFYZJKDE-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.29
Rot. Bonds5

About 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide

1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide (PubChem CID 7217106) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide
PubChem CID7217106
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)cc1
InChIInChI=1S/C19H22N4O4S/c1-13-3-5-14(6-4-13)21-17(25)15-11-20-19(22(2)18(15)26)28-12-16(24)23-7-9-27-10-8-23/h3-6,11H,7-10,12H2,1-2H3,(H,21,25)
InChIKeyWEUXUEBFYZJKDE-UHFFFAOYSA-N
XLogP1.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-benzyl-6-hydroxy-3-(4-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135438996
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
N-(4-Acetylamino-phenyl)-2-[3-(2-methoxy-ethyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-acetamide
CID 3147386
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
N-[3-(Dimethylamino)-4-methylphenyl]-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 16011305
2-morpholin-4-yl-5-oxo-N-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16026016
4-[2-({2-[(4-methylphenyl)amino]-2-oxoethyl}thio)-4-oxoquinazolin-3(4H)-yl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 16188442
1-methyl-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 16832360
(E)-6-(4-(diethylamino)benzylidene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
CID 17575167

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide (CID 7217106) is 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)cc1.
What is the InChIKey of 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is WEUXUEBFYZJKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-3-5-14(6-4-13)21-17(25)15-11-20-19(22(2)18(15)26)28-12-16(24)23-7-9-27-10-8-23/h3-6,11H,7-10,12H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 7217106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).