N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide

C19H22N4O5S — CID 7217125

IUPACN-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)c1
InChIInChI=1S/C19H22N4O5S/c1-22-18(26)15(17(25)21-13-4-3-5-14(10-13)27-2)11-20-19(22)29-12-16(24)23-6-8-28-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,25)
InChIKeyZXKWZTACTOEZHU-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.99
Rot. Bonds6

About N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide

N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide (PubChem CID 7217125) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide
PubChem CID7217125
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)c1
InChIInChI=1S/C19H22N4O5S/c1-22-18(26)15(17(25)21-13-4-3-5-14(10-13)27-2)11-20-19(22)29-12-16(24)23-6-8-28-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,25)
InChIKeyZXKWZTACTOEZHU-UHFFFAOYSA-N
XLogP0.99
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide (CID 7217125) is N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is ZXKWZTACTOEZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-22-18(26)15(17(25)21-13-4-3-5-14(10-13)27-2)11-20-19(22)29-12-16(24)23-6-8-28-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 7217125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).