3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine

C13H21N7O3S — CID 169003447

IUPAC3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(ncnc2N2CCC(C)(NS(N)(=O)=O)CC2)NC1=O
InChIInChI=1S/C13H21N7O3S/c1-13(18-24(14,22)23)3-5-20(6-4-13)11-9-7-19(2)12(21)17-10(9)15-8-16-11/h8,18H,3-7H2,1-2H3,(H2,14,22,23)(H,15,16,17,21)
InChIKeyWXINGVSLFMTOEU-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.39
Rot. Bonds3

About 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine

3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine (PubChem CID 169003447) has the molecular formula C13H21N7O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
PubChem CID169003447
Molecular FormulaC13H21N7O3S
Molecular Weight355.42 g/mol
Exact Mass355.14
IUPAC Name3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(ncnc2N2CCC(C)(NS(N)(=O)=O)CC2)NC1=O
InChIInChI=1S/C13H21N7O3S/c1-13(18-24(14,22)23)3-5-20(6-4-13)11-9-7-19(2)12(21)17-10(9)15-8-16-11/h8,18H,3-7H2,1-2H3,(H2,14,22,23)(H,15,16,17,21)
InChIKeyWXINGVSLFMTOEU-UHFFFAOYSA-N
XLogP-0.39
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine (CID 169003447) is 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine is CN1Cc2c(ncnc2N2CCC(C)(NS(N)(=O)=O)CC2)NC1=O.
What is the InChIKey of 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
The InChIKey is WXINGVSLFMTOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O3S/c1-13(18-24(14,22)23)3-5-20(6-4-13)11-9-7-19(2)12(21)17-10(9)15-8-16-11/h8,18H,3-7H2,1-2H3,(H2,14,22,23)(H,15,16,17,21).
What are the key properties of 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine?
3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine has a molecular weight of 355.42 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-4-(sulfamoylamino)piperidin-1-yl]-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 169003447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).