4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C8H14FN5 — CID 13063

IUPAC4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(F)nc(NC(C)C)n1
InChIInChI=1S/C8H14FN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyUVFJCLCZLWRWCX-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.26
Rot. Bonds4

About 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 13063) has the molecular formula C8H14FN5 and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID13063
Molecular FormulaC8H14FN5
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(F)nc(NC(C)C)n1
InChIInChI=1S/C8H14FN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyUVFJCLCZLWRWCX-UHFFFAOYSA-N
XLogP1.26
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyromazine
CID 47866
Terbuthylazine
CID 22206
Atrazine
CID 2256
Prometon
CID 4928
Propazine
CID 4937
Deethylatrazine
CID 22563
Atraton
CID 15359
Secbumeton
CID 33443
Cyprazine
CID 24738
Sebuthylazine
CID 23712
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 13063) is 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(F)nc(NC(C)C)n1.
What is the InChIKey of 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UVFJCLCZLWRWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 199.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).