2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C14H18FN5O — CID 80771068

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-2-9-21-14-19-12(16)18-13(20-14)17-8-7-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H3,16,17,18,19,20)
InChIKeyNTZPUGVEVXEHOW-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.04
Rot. Bonds7

About 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80771068) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80771068
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-2-9-21-14-19-12(16)18-13(20-14)17-8-7-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H3,16,17,18,19,20)
InChIKeyNTZPUGVEVXEHOW-UHFFFAOYSA-N
XLogP2.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine 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

6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
6-propoxy-2-N-(2,3,4-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80748779
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
2-N-[(3-methyl-4-pyridinyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114702251

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80771068) is 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NTZPUGVEVXEHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-9-21-14-19-12(16)18-13(20-14)17-8-7-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).