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

C8H14ClN5 — CID 2256

IUPAC6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H14ClN5/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)
InChIKeyMXWJVTOOROXGIU-UHFFFAOYSA-N
MW215.69 g/mol
LogP1.78
Rot. Bonds4

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

6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 2256) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID2256
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H14ClN5/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)
InChIKeyMXWJVTOOROXGIU-UHFFFAOYSA-N
XLogP1.78
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyromazine
CID 47866
Cyanazine
CID 30773
Simazine
CID 5216
Terbuthylazine
CID 22206
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Prometon
CID 4928
Propazine
CID 4937
Atraton
CID 15359
Secbumeton
CID 33443
Cyprazine
CID 24738
Sebuthylazine
CID 23712

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 2256) is 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MXWJVTOOROXGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/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 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 215.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).