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

C11H17N3O4S — CID 61234350

IUPACN,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N(CCO)CCO
InChIInChI=1S/C11H17N3O4S/c1-7-8(9(19-2)13-11(18)12-7)10(17)14(3-5-15)4-6-16/h15-16H,3-6H2,1-2H3,(H,12,13,18)
InChIKeyFLFHCQSLKQQHQL-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.77
Rot. Bonds6

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

N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 61234350) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID61234350
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N(CCO)CCO
InChIInChI=1S/C11H17N3O4S/c1-7-8(9(19-2)13-11(18)12-7)10(17)14(3-5-15)4-6-16/h15-16H,3-6H2,1-2H3,(H,12,13,18)
InChIKeyFLFHCQSLKQQHQL-UHFFFAOYSA-N
XLogP-0.77
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 61234350) is N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FLFHCQSLKQQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7-8(9(19-2)13-11(18)12-7)10(17)14(3-5-15)4-6-16/h15-16H,3-6H2,1-2H3,(H,12,13,18).
What are the key properties of N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 61234350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).