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

C12H17N3O3S — CID 55172941

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCC(O)C1CC1
InChIInChI=1S/C12H17N3O3S/c1-6-9(11(19-2)15-12(18)14-6)10(17)13-5-8(16)7-3-4-7/h7-8,16H,3-5H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyITQHBLWLFCSFNB-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.30
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 55172941) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID55172941
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCC(O)C1CC1
InChIInChI=1S/C12H17N3O3S/c1-6-9(11(19-2)15-12(18)14-6)10(17)13-5-8(16)7-3-4-7/h7-8,16H,3-5H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyITQHBLWLFCSFNB-UHFFFAOYSA-N
XLogP0.30
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
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-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 55172941) is N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ITQHBLWLFCSFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-6-9(11(19-2)15-12(18)14-6)10(17)13-5-8(16)7-3-4-7/h7-8,16H,3-5H2,1-2H3,(H,13,17)(H,14,15,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 283.35 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-(2-cyclopropyl-2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 55172941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).