6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H20ClN5 — CID 64920679

IUPAC6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(Cl)nc(N(C)C)n2)C1C
InChIInChI=1S/C12H20ClN5/c1-7-5-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18(3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16,17)
InChIKeyXVSWNUVHMOPVBF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.44
Rot. Bonds3

About 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 64920679) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID64920679
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(Cl)nc(N(C)C)n2)C1C
InChIInChI=1S/C12H20ClN5/c1-7-5-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18(3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16,17)
InChIKeyXVSWNUVHMOPVBF-UHFFFAOYSA-N
XLogP2.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64920878
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62862839
6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 65472615
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
6-chloro-2-N,2-N-dimethyl-4-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862573
2-N,2-N,6-N-trimethyl-4-N-(2-methylcyclopropyl)-1,3,5-triazine-2,4,6-triamine
CID 80826128
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80841384
6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80841016
2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 80909767
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138
6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 63550301

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 64920679) is 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC1CCC(Nc2nc(Cl)nc(N(C)C)n2)C1C.
What is the InChIKey of 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XVSWNUVHMOPVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-7-5-6-9(8(7)2)14-11-15-10(13)16-12(17-11)18(3)4/h7-9H,5-6H2,1-4H3,(H,14,15,16,17).
What are the key properties of 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 64920679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).