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

C11H17N3O3S — CID 43500428

IUPACN-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H17N3O3S/c1-4-7(5-15)13-9(16)8-6(2)12-11(17)14-10(8)18-3/h7,15H,4-5H2,1-3H3,(H,13,16)(H,12,14,17)
InChIKeyILRAFASDDMGKBT-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.30
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 43500428) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID43500428
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H17N3O3S/c1-4-7(5-15)13-9(16)8-6(2)12-11(17)14-10(8)18-3/h7,15H,4-5H2,1-3H3,(H,13,16)(H,12,14,17)
InChIKeyILRAFASDDMGKBT-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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Related Compounds

6-methyl-4-methylsulfanyl-2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-carboxamide
CID 103755788
N-(3,3-difluoro-2-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 103769827
N-(2,2-difluoro-3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 104862857
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 107483329
N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 107483456
3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43170317
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170860
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 43353511
3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43354084
3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43357870
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43469482
N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500355

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 43500428) is N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CCC(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ILRAFASDDMGKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-7(5-15)13-9(16)8-6(2)12-11(17)14-10(8)18-3/h7,15H,4-5H2,1-3H3,(H,13,16)(H,12,14,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(1-hydroxybutan-2-yl)-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-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 43500428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).