4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C12H14N4O — CID 112636546

IUPAC4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C12H14N4O/c1-2-17-11-6-8-14-12(16-11)15-9-10-5-3-4-7-13-10/h3-8H,2,9H2,1H3,(H,14,15,16)
InChIKeyJRNSQEYURQPBDY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.88
Rot. Bonds5

About 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 112636546) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID112636546
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C12H14N4O/c1-2-17-11-6-8-14-12(16-11)15-9-10-5-3-4-7-13-10/h3-8H,2,9H2,1H3,(H,14,15,16)
InChIKeyJRNSQEYURQPBDY-UHFFFAOYSA-N
XLogP1.88
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-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

Related Compounds

4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 112636546) is 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CCOc1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is JRNSQEYURQPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-17-11-6-8-14-12(16-11)15-9-10-5-3-4-7-13-10/h3-8H,2,9H2,1H3,(H,14,15,16).
What are the key properties of 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 230.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).