4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine

C17H17N5 — CID 44591865

IUPAC4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C17H17N5/c1-18-16-8-14-15(9-19-16)20-10-21-17(14)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyCFPRFHJCKSKOOT-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.65
Rot. Bonds3

About 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 44591865) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID44591865
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C17H17N5/c1-18-16-8-14-15(9-19-16)20-10-21-17(14)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,18,19)(H,20,21,22)
InChIKeyCFPRFHJCKSKOOT-UHFFFAOYSA-N
XLogP2.65
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-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 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 44591865) is 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine is CNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is CFPRFHJCKSKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-18-16-8-14-15(9-19-16)20-10-21-17(14)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,18,19)(H,20,21,22).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 44591865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).