4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine

C6H9ClN4 — CID 11116532

IUPAC4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H9ClN4/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyGKQHKHCDLXKVTK-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.23
Rot. Bonds1

About 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine

4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 11116532) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID11116532
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H9ClN4/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyGKQHKHCDLXKVTK-UHFFFAOYSA-N
XLogP1.23
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
6-Cyclopropyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 212661
4-Chloro-6-methyl-1,3,5-triazin-2-amine
CID 30591
2,4-Dichloro-6-(propan-2-yl)-1,3,5-triazine
CID 35648
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
4-Chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 11446828
4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
2,4,6-Tri(propan-2-yl)-1,3,5-triazine
CID 32829

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine (CID 11116532) is 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is GKQHKHCDLXKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 172.62 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 11116532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).