N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine

C15H17N3 — CID 61234216

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCC2Cc3ccccc32)ncn1
InChIInChI=1S/C15H17N3/c1-2-13-8-15(18-10-17-13)16-9-12-7-11-5-3-4-6-14(11)12/h3-6,8,10,12H,2,7,9H2,1H3,(H,16,17,18)
InChIKeySKVDNGUQXHZZSU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.79
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine (PubChem CID 61234216) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
PubChem CID61234216
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCC2Cc3ccccc32)ncn1
InChIInChI=1S/C15H17N3/c1-2-13-8-15(18-10-17-13)16-9-12-7-11-5-3-4-6-14(11)12/h3-6,8,10,12H,2,7,9H2,1H3,(H,16,17,18)
InChIKeySKVDNGUQXHZZSU-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-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-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine (CID 61234216) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine is CCc1cc(NCC2Cc3ccccc32)ncn1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine?
The InChIKey is SKVDNGUQXHZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-13-8-15(18-10-17-13)16-9-12-7-11-5-3-4-6-14(11)12/h3-6,8,10,12H,2,7,9H2,1H3,(H,16,17,18).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 61234216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).