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

C10H15N3O3S — CID 43501060

IUPACN-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC(C)CO
InChIInChI=1S/C10H15N3O3S/c1-5(4-14)11-8(15)7-6(2)12-10(16)13-9(7)17-3/h5,14H,4H2,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyBIISPHZTWWULED-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.09
Rot. Bonds4

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

N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 43501060) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID43501060
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC(C)CO
InChIInChI=1S/C10H15N3O3S/c1-5(4-14)11-8(15)7-6(2)12-10(16)13-9(7)17-3/h5,14H,4H2,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyBIISPHZTWWULED-UHFFFAOYSA-N
XLogP-0.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 43501060) is N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BIISPHZTWWULED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(4-14)11-8(15)7-6(2)12-10(16)13-9(7)17-3/h5,14H,4H2,1-3H3,(H,11,15)(H,12,13,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 43501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).