1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine

C15H17N3 — CID 65403490

IUPAC1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(C2CCc3ccccc32)n1
InChIInChI=1S/C15H17N3/c1-16-10-12-8-9-17-15(18-12)14-7-6-11-4-2-3-5-13(11)14/h2-5,8-9,14,16H,6-7,10H2,1H3
InChIKeyADDIKZHNCBQKLQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.27
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 65403490) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID65403490
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1ccnc(C2CCc3ccccc32)n1
InChIInChI=1S/C15H17N3/c1-16-10-12-8-9-17-15(18-12)14-7-6-11-4-2-3-5-13(11)14/h2-5,8-9,14,16H,6-7,10H2,1H3
InChIKeyADDIKZHNCBQKLQ-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine 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-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine (CID 65403490) is 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1ccnc(C2CCc3ccccc32)n1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is ADDIKZHNCBQKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-16-10-12-8-9-17-15(18-12)14-7-6-11-4-2-3-5-13(11)14/h2-5,8-9,14,16H,6-7,10H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65403490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).