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

C11H17N3O3S — CID 54878685

IUPACN-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCO)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-6-15)10(16)8-7(2)12-11(17)13-9(8)18-3/h15H,4-6H2,1-3H3,(H,12,13,17)
InChIKeyVCPOJEMPZOFYEZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.25
Rot. Bonds5

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

N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 54878685) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID54878685
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCO)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-6-15)10(16)8-7(2)12-11(17)13-9(8)18-3/h15H,4-6H2,1-3H3,(H,12,13,17)
InChIKeyVCPOJEMPZOFYEZ-UHFFFAOYSA-N
XLogP0.25
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 54878685) is N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CCN(CCO)C(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VCPOJEMPZOFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-14(5-6-15)10(16)8-7(2)12-11(17)13-9(8)18-3/h15H,4-6H2,1-3H3,(H,12,13,17).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 54878685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).