N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

C10H15N3O3S — CID 54879530

IUPACN-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N(C)CCO
InChIInChI=1S/C10H15N3O3S/c1-6-7(9(15)13(2)4-5-14)8(17-3)12-10(16)11-6/h14H,4-5H2,1-3H3,(H,11,12,16)
InChIKeyZHWZEXUBLRBJQA-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.14
Rot. Bonds4

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

N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 54879530) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID54879530
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N(C)CCO
InChIInChI=1S/C10H15N3O3S/c1-6-7(9(15)13(2)4-5-14)8(17-3)12-10(16)11-6/h14H,4-5H2,1-3H3,(H,11,12,16)
InChIKeyZHWZEXUBLRBJQA-UHFFFAOYSA-N
XLogP-0.14
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 54879530) is N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZHWZEXUBLRBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6-7(9(15)13(2)4-5-14)8(17-3)12-10(16)11-6/h14H,4-5H2,1-3H3,(H,11,12,16).
What are the key properties of N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 54879530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).