N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide

C15H21N5O4S — CID 129004797

IUPACN,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O4S/c1-17-10-12(14(21)19(3)15(17)22)25(23,24)18(2)8-11-9-20-7-5-4-6-13(20)16-11/h9-10H,4-8H2,1-3H3
InChIKeyZOQWBKDMBULWCR-UHFFFAOYSA-N
MW367.43 g/mol
LogP-0.56
Rot. Bonds4

About N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide

N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 129004797) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID129004797
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O4S/c1-17-10-12(14(21)19(3)15(17)22)25(23,24)18(2)8-11-9-20-7-5-4-6-13(20)16-11/h9-10H,4-8H2,1-3H3
InChIKeyZOQWBKDMBULWCR-UHFFFAOYSA-N
XLogP-0.56
TPSA99.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide (CID 129004797) is N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide is CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is ZOQWBKDMBULWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-17-10-12(14(21)19(3)15(17)22)25(23,24)18(2)8-11-9-20-7-5-4-6-13(20)16-11/h9-10H,4-8H2,1-3H3.
What are the key properties of N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of -0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 129004797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).