N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

C11H17N3O3S — CID 64912001

IUPACN-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCCC(C)O
InChIInChI=1S/C11H17N3O3S/c1-6(15)4-5-12-9(16)8-7(2)13-11(17)14-10(8)18-3/h6,15H,4-5H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyLNINYCYQIOMEMJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.30
Rot. Bonds5

About N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 64912001) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID64912001
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCCC(C)O
InChIInChI=1S/C11H17N3O3S/c1-6(15)4-5-12-9(16)8-7(2)13-11(17)14-10(8)18-3/h6,15H,4-5H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyLNINYCYQIOMEMJ-UHFFFAOYSA-N
XLogP0.30
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 64912001) is N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)NCCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LNINYCYQIOMEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(15)4-5-12-9(16)8-7(2)13-11(17)14-10(8)18-3/h6,15H,4-5H2,1-3H3,(H,12,16)(H,13,14,17).
What are the key properties of N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64912001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).