1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride

C15H26ClN7O3S — CID 169003395

IUPAC1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
SMILESCN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O.Cl
InChIInChI=1S/C15H25N7O3S.ClH/c1-20-9-12-13(21(2)15(20)23)17-10-18-14(12)22-7-4-11(5-8-22)3-6-19-26(16,24)25;/h10-11,19H,3-9H2,1-2H3,(H2,16,24,25);1H
InChIKeyBAWTYPQYXSGUBT-UHFFFAOYSA-N
MW419.94 g/mol
LogP0.30
Rot. Bonds5

About 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride

1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride (PubChem CID 169003395) has the molecular formula C15H26ClN7O3S and a molecular weight of 419.94 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
PubChem CID169003395
Molecular FormulaC15H26ClN7O3S
Molecular Weight419.94 g/mol
Exact Mass419.15
IUPAC Name1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
SMILESCN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O.Cl
InChIInChI=1S/C15H25N7O3S.ClH/c1-20-9-12-13(21(2)15(20)23)17-10-18-14(12)22-7-4-11(5-8-22)3-6-19-26(16,24)25;/h10-11,19H,3-9H2,1-2H3,(H2,16,24,25);1H
InChIKeyBAWTYPQYXSGUBT-UHFFFAOYSA-N
XLogP0.30
TPSA124.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride?
The IUPAC name of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride (CID 169003395) is 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride?
The canonical SMILES for 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride is CN1Cc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2N(C)C1=O.Cl.
What is the InChIKey of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride?
The InChIKey is BAWTYPQYXSGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O3S.ClH/c1-20-9-12-13(21(2)15(20)23)17-10-18-14(12)22-7-4-11(5-8-22)3-6-19-26(16,24)25;/h10-11,19H,3-9H2,1-2H3,(H2,16,24,25);1H.
What are the key properties of 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride?
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride has a molecular weight of 419.94 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride is sourced from PubChem (CID 169003395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).