6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine

C15H16N6O — CID 91660997

IUPAC6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2cccc(-c3ncn[nH]3)c2)ncn1
InChIInChI=1S/C15H16N6O/c1-2-22-14-7-13(17-9-18-14)16-8-11-4-3-5-12(6-11)15-19-10-20-21-15/h3-7,9-10H,2,8H2,1H3,(H,16,17,18)(H,19,20,21)
InChIKeyKCXSCCPAEBUUBY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.27
Rot. Bonds6

About 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine

6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 91660997) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID91660997
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2cccc(-c3ncn[nH]3)c2)ncn1
InChIInChI=1S/C15H16N6O/c1-2-22-14-7-13(17-9-18-14)16-8-11-4-3-5-12(6-11)15-19-10-20-21-15/h3-7,9-10H,2,8H2,1H3,(H,16,17,18)(H,19,20,21)
InChIKeyKCXSCCPAEBUUBY-UHFFFAOYSA-N
XLogP2.27
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-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

Related Compounds

N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
1-(2,2-diphenylethyl)-2-methyl-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]guanidine
CID 111796619
4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]prop-2-enamide
CID 139018828
5-(3-tert-butylphenyl)-1H-1,2,4-triazole
CID 58412583
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 66319450
tert-butyl 4-[[3-(1H-1,2,4-triazol-5-yl)anilino]methyl]benzoate
CID 86815500

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine (CID 91660997) is 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine is CCOc1cc(NCc2cccc(-c3ncn[nH]3)c2)ncn1.
What is the InChIKey of 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is KCXSCCPAEBUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-22-14-7-13(17-9-18-14)16-8-11-4-3-5-12(6-11)15-19-10-20-21-15/h3-7,9-10H,2,8H2,1H3,(H,16,17,18)(H,19,20,21).
What are the key properties of 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine?
6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 296.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 91660997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).