6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H20ClN5 — CID 80841016

IUPAC6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC1CCC(Nc2nc(Cl)nc(NC)n2)C1C
InChIInChI=1S/C12H20ClN5/c1-4-8-5-6-9(7(8)2)15-12-17-10(13)16-11(14-3)18-12/h7-9H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySJFUKEHOJJGODL-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80841016) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80841016
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC1CCC(Nc2nc(Cl)nc(NC)n2)C1C
InChIInChI=1S/C12H20ClN5/c1-4-8-5-6-9(7(8)2)15-12-17-10(13)16-11(14-3)18-12/h7-9H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySJFUKEHOJJGODL-UHFFFAOYSA-N
XLogP2.80
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
CID 64915028
5,6-diethyl-N-(3-ethyl-2-methylcyclopentyl)-1,2,4-triazin-3-amine
CID 105362685
6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
CID 64915443
4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
CID 112637959
6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 114541947
2-N-(2,3-dimethylcyclopentyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80840526
6-chloro-2-N,2-N-diethyl-4-N-(2-ethylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 63550301
6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 64920679
2-chloro-6-ethyl-N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321891
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine
CID 106575129
2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 83077253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80841016) is 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCC1CCC(Nc2nc(Cl)nc(NC)n2)C1C.
What is the InChIKey of 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SJFUKEHOJJGODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-4-8-5-6-9(7(8)2)15-12-17-10(13)16-11(14-3)18-12/h7-9H,4-6H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80841016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).