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

C13H21N3O3S — CID 61039463

IUPACN-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C13H21N3O3S/c1-8(2)16(6-5-7-17)12(18)10-9(3)14-13(19)15-11(10)20-4/h8,17H,5-7H2,1-4H3,(H,14,15,19)
InChIKeyXJVSTJSHHFOIFV-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.03
Rot. Bonds6

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

N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 61039463) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID61039463
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C13H21N3O3S/c1-8(2)16(6-5-7-17)12(18)10-9(3)14-13(19)15-11(10)20-4/h8,17H,5-7H2,1-4H3,(H,14,15,19)
InChIKeyXJVSTJSHHFOIFV-UHFFFAOYSA-N
XLogP1.03
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170686
N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500355
N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500428
N-(1-hydroxy-2-methylpropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500631
N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43501015
1,2-Dihydro-N-(2-hydroxy-1-methylethyl)-4-methyl-6-(methylthio)-2-oxo-5-pyrimidinecarboxamide
CID 43501060
N-(2-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43501146
5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43501394
5-(4-hydroxypiperidine-1-carbonyl)-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 43502638

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 61039463) is N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is XJVSTJSHHFOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8(2)16(6-5-7-17)12(18)10-9(3)14-13(19)15-11(10)20-4/h8,17H,5-7H2,1-4H3,(H,14,15,19).
What are the key properties of N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 61039463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).