7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

C20H27N5O — CID 97451210

IUPAC7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCOc1cc(N2CCC3(CC2)CC(N(C)Cc2ccccn2)C3)ncn1
InChIInChI=1S/C20H27N5O/c1-24(14-16-5-3-4-8-21-16)17-12-20(13-17)6-9-25(10-7-20)18-11-19(26-2)23-15-22-18/h3-5,8,11,15,17H,6-7,9-10,12-14H2,1-2H3
InChIKeyDPNNOONLUKNZNV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.76
Rot. Bonds5

About 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 97451210) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID97451210
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCOc1cc(N2CCC3(CC2)CC(N(C)Cc2ccccn2)C3)ncn1
InChIInChI=1S/C20H27N5O/c1-24(14-16-5-3-4-8-21-16)17-12-20(13-17)6-9-25(10-7-20)18-11-19(26-2)23-15-22-18/h3-5,8,11,15,17H,6-7,9-10,12-14H2,1-2H3
InChIKeyDPNNOONLUKNZNV-UHFFFAOYSA-N
XLogP2.76
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine 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 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (CID 97451210) is 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is COc1cc(N2CCC3(CC2)CC(N(C)Cc2ccccn2)C3)ncn1.
What is the InChIKey of 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is DPNNOONLUKNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24(14-16-5-3-4-8-21-16)17-12-20(13-17)6-9-25(10-7-20)18-11-19(26-2)23-15-22-18/h3-5,8,11,15,17H,6-7,9-10,12-14H2,1-2H3.
What are the key properties of 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 97451210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).