N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

C12H19N3O3S — CID 64555401

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(C)(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O3S/c1-5-12(3,6-16)15-9(17)8-7(2)13-11(18)14-10(8)19-4/h16H,5-6H2,1-4H3,(H,15,17)(H,13,14,18)
InChIKeyGLZUZVKDVBXHEY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.69
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 64555401) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID64555401
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(C)(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C12H19N3O3S/c1-5-12(3,6-16)15-9(17)8-7(2)13-11(18)14-10(8)19-4/h16H,5-6H2,1-4H3,(H,15,17)(H,13,14,18)
InChIKeyGLZUZVKDVBXHEY-UHFFFAOYSA-N
XLogP0.69
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 64555401) is N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CCC(C)(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GLZUZVKDVBXHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-12(3,6-16)15-9(17)8-7(2)13-11(18)14-10(8)19-4/h16H,5-6H2,1-4H3,(H,15,17)(H,13,14,18).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64555401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).