4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine

C9H14Cl2N4 — CID 62869584

IUPAC4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
SMILESCCCC(CC)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-3-5-6(4-2)12-9-14-7(10)13-8(11)15-9/h6H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyRERHCJPLAWUCCA-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.17
Rot. Bonds5

About 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine

4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine (PubChem CID 62869584) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
PubChem CID62869584
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
SMILESCCCC(CC)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-3-5-6(4-2)12-9-14-7(10)13-8(11)15-9/h6H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyRERHCJPLAWUCCA-UHFFFAOYSA-N
XLogP3.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
N-hexan-3-yl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859814
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80779012
4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106028150
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
CID 112746179
2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
2-[[4-chloro-6-(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 102396474
5-fluoro-N-hexan-3-ylpyrimidin-2-amine
CID 115750039
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
N-hexan-3-yl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907736

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine (CID 62869584) is 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine is CCCC(CC)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine?
The InChIKey is RERHCJPLAWUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-3-5-6(4-2)12-9-14-7(10)13-8(11)15-9/h6H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine?
4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine has a molecular weight of 249.14 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).