2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide

C17H18N6O4S — CID 55905713

IUPAC2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3CCN(c4ncccn4)CC3)ccc2[nH]1
InChIInChI=1S/C17H18N6O4S/c24-15-13-10-12(2-3-14(13)20-17(25)21-15)28(26,27)22-11-4-8-23(9-5-11)16-18-6-1-7-19-16/h1-3,6-7,10-11,22H,4-5,8-9H2,(H2,20,21,24,25)
InChIKeyMHMIVKAIAIXSMU-UHFFFAOYSA-N
MW402.44 g/mol
LogP-0.05
Rot. Bonds4

About 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide

2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide (PubChem CID 55905713) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
PubChem CID55905713
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC Name2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3CCN(c4ncccn4)CC3)ccc2[nH]1
InChIInChI=1S/C17H18N6O4S/c24-15-13-10-12(2-3-14(13)20-17(25)21-15)28(26,27)22-11-4-8-23(9-5-11)16-18-6-1-7-19-16/h1-3,6-7,10-11,22H,4-5,8-9H2,(H2,20,21,24,25)
InChIKeyMHMIVKAIAIXSMU-UHFFFAOYSA-N
XLogP-0.05
TPSA140.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 71926432
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide
CID 166215334
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 120726602
N-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 129471125
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120726601

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide?
The IUPAC name of 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide (CID 55905713) is 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NC3CCN(c4ncccn4)CC3)ccc2[nH]1.
What is the InChIKey of 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide?
The InChIKey is MHMIVKAIAIXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c24-15-13-10-12(2-3-14(13)20-17(25)21-15)28(26,27)22-11-4-8-23(9-5-11)16-18-6-1-7-19-16/h1-3,6-7,10-11,22H,4-5,8-9H2,(H2,20,21,24,25).
What are the key properties of 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide?
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide has a molecular weight of 402.44 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 55905713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).