4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine

C9H14Cl2N4 — CID 6430811

IUPAC4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCCCC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-4-5-9(2,3)15-8-13-6(10)12-7(11)14-8/h4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyNVWABGIEYVKRIE-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.17
Rot. Bonds4

About 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 6430811) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID6430811
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCCCC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-4-5-9(2,3)15-8-13-6(10)12-7(11)14-8/h4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyNVWABGIEYVKRIE-UHFFFAOYSA-N
XLogP3.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
CID 115774026
4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430810
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
5,6-diethyl-N-(2-methylpentan-2-yl)-1,2,4-triazin-3-amine
CID 105362826
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
CID 65108708
4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
CID 149100752
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
CID 62857641
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpentanenitrile
CID 110189425
2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine (CID 6430811) is 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine is CCCC(C)(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is NVWABGIEYVKRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-4-5-9(2,3)15-8-13-6(10)12-7(11)14-8/h4-5H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 249.14 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6430811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).