N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine

C19H22N4 — CID 147154425

IUPACN-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine
SMILESc1ccc(C/N=C2\Nc3cncnc3CC23CCCCC3)cc1
InChIInChI=1S/C19H22N4/c1-3-7-15(8-4-1)12-21-18-19(9-5-2-6-10-19)11-16-17(23-18)13-20-14-22-16/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,21,23)
InChIKeyBUPOZMCBICGVGH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.99
Rot. Bonds2

About N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine

N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine (PubChem CID 147154425) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine.

Molecular Properties

Compound NameN-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine
PubChem CID147154425
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine
SMILESc1ccc(C/N=C2\Nc3cncnc3CC23CCCCC3)cc1
InChIInChI=1S/C19H22N4/c1-3-7-15(8-4-1)12-21-18-19(9-5-2-6-10-19)11-16-17(23-18)13-20-14-22-16/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,21,23)
InChIKeyBUPOZMCBICGVGH-UHFFFAOYSA-N
XLogP3.99
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine 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 N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine?
The IUPAC name of N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine (CID 147154425) is N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine.
What is the SMILES notation for N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine?
The canonical SMILES for N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine is c1ccc(C/N=C2\Nc3cncnc3CC23CCCCC3)cc1.
What is the InChIKey of N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine?
The InChIKey is BUPOZMCBICGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-3-7-15(8-4-1)12-21-18-19(9-5-2-6-10-19)11-16-17(23-18)13-20-14-22-16/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,21,23).
What are the key properties of N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine?
N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine has a molecular weight of 306.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylspiro[5,8-dihydropyrido[3,2-d]pyrimidine-7,1'-cyclohexane]-6-imine is sourced from PubChem (CID 147154425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).