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

C12H22N4O4S — CID 106141539

IUPACN-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(C)(C)CCN)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O4S/c1-12(2,5-6-13)8-14-21(19,20)9-7-15(3)11(18)16(4)10(9)17/h7,14H,5-6,8,13H2,1-4H3
InChIKeyBUYOSSZDTDVAQT-UHFFFAOYSA-N
MW318.40 g/mol
LogP-1.26
Rot. Bonds6

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

N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 106141539) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID106141539
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(C)(C)CCN)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O4S/c1-12(2,5-6-13)8-14-21(19,20)9-7-15(3)11(18)16(4)10(9)17/h7,14H,5-6,8,13H2,1-4H3
InChIKeyBUYOSSZDTDVAQT-UHFFFAOYSA-N
XLogP-1.26
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dibutyl-2,4-dioxopyrimidine-5-sulfonamide
CID 309825
N-ethyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 43258966
1,3-Dimethyl-2,4-dioxo-N-(1,1-dimethylethyl)-5-pyrimidinesulfonamide
CID 19860385
2,4-dioxo-N-pentyl-1H-pyrimidine-5-sulfonamide
CID 21048641
1,3-dimethyl-2,4-dioxo-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-5-sulfonamide
CID 17460686
N-(sec-butyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 17465877
N-isobutyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 17466121
N,1,3-Trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 17479447
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-(2-aminoethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 20121551
N-(3-aminopropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 24702148

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 106141539) is N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCC(C)(C)CCN)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is BUYOSSZDTDVAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-12(2,5-6-13)8-14-21(19,20)9-7-15(3)11(18)16(4)10(9)17/h7,14H,5-6,8,13H2,1-4H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of -1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 106141539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).