N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C10H17N3O5S — CID 106843925

IUPACN-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O5S/c1-12-7-8(9(15)13(2)10(12)16)19(17,18)11-5-3-4-6-14/h7,11,14H,3-6H2,1-2H3
InChIKeyBPAXQGZPHLLCRV-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.87
Rot. Bonds6

About N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 106843925) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID106843925
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC NameN-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O5S/c1-12-7-8(9(15)13(2)10(12)16)19(17,18)11-5-3-4-6-14/h7,11,14H,3-6H2,1-2H3
InChIKeyBPAXQGZPHLLCRV-UHFFFAOYSA-N
XLogP-1.87
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 104858889
1,3-dimethyl-2,4-dioxo-N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)pyrimidine-5-sulfonamide
CID 154739116
N,1-dibutyl-2,4-dioxopyrimidine-5-sulfonamide
CID 309825
N-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 17495959
N-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 18096693
N-(3-ethoxypropyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 26527374
4-[(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]butanoic acid
CID 28104538
1,3-dimethyl-2,4-dioxo-N-pentylpyrimidine-5-sulfonamide
CID 37594355
N-ethyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 43213174
1,3-dimethyl-2,4-dioxo-N-propyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 43213179
N-(4-hydroxycyclohexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 43393111
N-(2-hydroxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 43394422

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 106843925) is N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCCCCO)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is BPAXQGZPHLLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-12-7-8(9(15)13(2)10(12)16)19(17,18)11-5-3-4-6-14/h7,11,14H,3-6H2,1-2H3.
What are the key properties of N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of -1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 106843925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).