N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

C14H25N3O — CID 111757516

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCOC1CC(NC2=NCCCN2)C12CCCC2
InChIInChI=1S/C14H25N3O/c1-2-18-12-10-11(14(12)6-3-4-7-14)17-13-15-8-5-9-16-13/h11-12H,2-10H2,1H3,(H2,15,16,17)
InChIKeyJTMPOQNFPOYTJM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.66
Rot. Bonds3

About N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111757516) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111757516
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCOC1CC(NC2=NCCCN2)C12CCCC2
InChIInChI=1S/C14H25N3O/c1-2-18-12-10-11(14(12)6-3-4-7-14)17-13-15-8-5-9-16-13/h11-12H,2-10H2,1H3,(H2,15,16,17)
InChIKeyJTMPOQNFPOYTJM-UHFFFAOYSA-N
XLogP1.66
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-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 N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111757516) is N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is CCOC1CC(NC2=NCCCN2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is JTMPOQNFPOYTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-18-12-10-11(14(12)6-3-4-7-14)17-13-15-8-5-9-16-13/h11-12H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111757516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).