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

C9H16ClN5 — CID 23712

IUPAC2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyBZRUVKZGXNSXMB-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.17
Rot. Bonds5

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

2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 23712) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID23712
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyBZRUVKZGXNSXMB-UHFFFAOYSA-N
XLogP2.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47866
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Deisopropylatrazine
CID 13878
Deethylatrazine
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Prometon
CID 4928
Propazine
CID 4937
Atraton
CID 15359
Secbumeton
CID 33443
Cyprazine
CID 24738

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 23712) is 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BZRUVKZGXNSXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).