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

C13H19N3O3S — CID 62359579

IUPACN-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1CCCCC1O
InChIInChI=1S/C13H19N3O3S/c1-7-10(12(20-2)16-13(19)14-7)11(18)15-8-5-3-4-6-9(8)17/h8-9,17H,3-6H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyYDRXQNJKRMPSMX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.83
Rot. Bonds3

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

N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 62359579) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID62359579
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1CCCCC1O
InChIInChI=1S/C13H19N3O3S/c1-7-10(12(20-2)16-13(19)14-7)11(18)15-8-5-3-4-6-9(8)17/h8-9,17H,3-6H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyYDRXQNJKRMPSMX-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 62359579) is N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YDRXQNJKRMPSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-7-10(12(20-2)16-13(19)14-7)11(18)15-8-5-3-4-6-9(8)17/h8-9,17H,3-6H2,1-2H3,(H,15,18)(H,14,16,19).
What are the key properties of N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 62359579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).