4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine

C8H13ClN4O — CID 62858534

IUPAC4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H13ClN4O/c1-3-5-10-7-11-6(9)12-8(13-7)14-4-2/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyVCKVWRBBPXTUMO-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.75
Rot. Bonds5

About 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 62858534) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID62858534
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H13ClN4O/c1-3-5-10-7-11-6(9)12-8(13-7)14-4-2/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyVCKVWRBBPXTUMO-UHFFFAOYSA-N
XLogP1.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3,5-triazin-2-amine
CID 114156897
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (CID 62858534) is 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is VCKVWRBBPXTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-3-5-10-7-11-6(9)12-8(13-7)14-4-2/h3-5H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 216.67 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).