N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide

C12H19N3O5S — CID 131931431

IUPACN,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O5S/c1-13-8-10(11(16)15(3)12(13)17)21(18,19)14(2)7-9-5-4-6-20-9/h8-9H,4-7H2,1-3H3
InChIKeyCMRWJVUAEIZDLC-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.12
Rot. Bonds4

About N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide

N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 131931431) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID131931431
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC NameN,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O5S/c1-13-8-10(11(16)15(3)12(13)17)21(18,19)14(2)7-9-5-4-6-20-9/h8-9H,4-7H2,1-3H3
InChIKeyCMRWJVUAEIZDLC-UHFFFAOYSA-N
XLogP-1.12
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide (CID 131931431) is N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide is CN(CC1CCCO1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is CMRWJVUAEIZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-13-8-10(11(16)15(3)12(13)17)21(18,19)14(2)7-9-5-4-6-20-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide?
N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of -1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 131931431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).