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

C7H11ClN4O — CID 20857

IUPAC4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C7H11ClN4O/c1-3-9-6-10-5(8)11-7(12-6)13-4-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyQUJJILDTLBXEKZ-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.36
Rot. Bonds4

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

4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 20857) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID20857
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C7H11ClN4O/c1-3-9-6-10-5(8)11-7(12-6)13-4-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyQUJJILDTLBXEKZ-UHFFFAOYSA-N
XLogP1.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Simazine
CID 5216
Deisopropylatrazine
CID 13878
Simeton
CID 12654
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
(4-Ethylamino-6-methoxyamino-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 1915426
2-Amino-4-ethylamino-6-methoxy-s-triazine
CID 35107
Simazine-d10
CID 16212202
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306
2-Chloro-4-methylamino-6-ethylamino-s-triazine
CID 18326
1,3,5-Triazine-2,4-diamine, 6-methoxy-N-(1-methylethyl)-
CID 2735355
s-Triazine, 2,4-bis(ethylamino)-6-isopropoxy-
CID 3057068

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 20857) is 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is QUJJILDTLBXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-3-9-6-10-5(8)11-7(12-6)13-4-2/h3-4H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 202.64 g/mol, XLogP of 1.36, 4 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-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).