N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide

C10H17N3O5S — CID 54916390

IUPACN-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O5S/c1-7(2)13(4-3-5-14)19(17,18)8-6-11-10(16)12-9(8)15/h6-7,14H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyYBCDSSQOZSRDCR-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.16
Rot. Bonds6

About N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide

N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide (PubChem CID 54916390) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide
PubChem CID54916390
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC NameN-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O5S/c1-7(2)13(4-3-5-14)19(17,18)8-6-11-10(16)12-9(8)15/h6-7,14H,3-5H2,1-2H3,(H2,11,12,15,16)
InChIKeyYBCDSSQOZSRDCR-UHFFFAOYSA-N
XLogP-1.16
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide (CID 54916390) is N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide?
The InChIKey is YBCDSSQOZSRDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-7(2)13(4-3-5-14)19(17,18)8-6-11-10(16)12-9(8)15/h6-7,14H,3-5H2,1-2H3,(H2,11,12,15,16).
What are the key properties of N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide?
N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 54916390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).