N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride

C10H19ClN4O4S — CID 119988336

IUPACN-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(C)(C)N)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S.ClH/c1-10(2,11)6-12-19(17,18)7-5-13(3)9(16)14(4)8(7)15;/h5,12H,6,11H2,1-4H3;1H
InChIKeyVBBYXLFKYXVTKA-UHFFFAOYSA-N
MW326.81 g/mol
LogP-1.48
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride (PubChem CID 119988336) has the molecular formula C10H19ClN4O4S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
PubChem CID119988336
Molecular FormulaC10H19ClN4O4S
Molecular Weight326.81 g/mol
Exact Mass326.08
IUPAC NameN-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(C)(C)N)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S.ClH/c1-10(2,11)6-12-19(17,18)7-5-13(3)9(16)14(4)8(7)15;/h5,12H,6,11H2,1-4H3;1H
InChIKeyVBBYXLFKYXVTKA-UHFFFAOYSA-N
XLogP-1.48
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N-(2-chloroprop-2-enyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115638560
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
CID 113236593
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 119976016
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531386
N-[1-(aminomethyl)cyclopentyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119980924

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride (CID 119988336) is N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCC(C)(C)N)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
The InChIKey is VBBYXLFKYXVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S.ClH/c1-10(2,11)6-12-19(17,18)7-5-13(3)9(16)14(4)8(7)15;/h5,12H,6,11H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride has a molecular weight of 326.81 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119988336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).