2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine

C12H17N7 — CID 155551922

IUPAC2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine
SMILESCC1CCCCN1c1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C12H17N7/c1-7-4-2-3-5-19(7)12-15-6-8-9(13)16-11(14)17-10(8)18-12/h6-7H,2-5H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyRGYTWUBOGZNZII-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.96
Rot. Bonds1

About 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine

2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine (PubChem CID 155551922) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine
PubChem CID155551922
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine
SMILESCC1CCCCN1c1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C12H17N7/c1-7-4-2-3-5-19(7)12-15-6-8-9(13)16-11(14)17-10(8)18-12/h6-7H,2-5H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyRGYTWUBOGZNZII-UHFFFAOYSA-N
XLogP0.96
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine 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 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine (CID 155551922) is 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine is CC1CCCCN1c1ncc2c(N)nc(N)nc2n1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is RGYTWUBOGZNZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-7-4-2-3-5-19(7)12-15-6-8-9(13)16-11(14)17-10(8)18-12/h6-7H,2-5H2,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine?
2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 259.32 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)pyrimido[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 155551922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).