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

C10H16ClN5 — CID 114541947

IUPAC6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC2CCC(C)C2)n1
InChIInChI=1S/C10H16ClN5/c1-6-3-4-7(5-6)13-10-15-8(11)14-9(12-2)16-10/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyDDDMVIKZGRINAV-UHFFFAOYSA-N
MW241.73 g/mol
LogP2.17
Rot. Bonds3

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

6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 114541947) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID114541947
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC2CCC(C)C2)n1
InChIInChI=1S/C10H16ClN5/c1-6-3-4-7(5-6)13-10-15-8(11)14-9(12-2)16-10/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyDDDMVIKZGRINAV-UHFFFAOYSA-N
XLogP2.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N,6-N-trimethyl-4-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4,6-triamine
CID 114541935
6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80847043
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80834056
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 114542312
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
6-chloro-2-N-(3-ethyl-2-methylcyclopentyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80841016
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80826625

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 114541947) is 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NC2CCC(C)C2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DDDMVIKZGRINAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-6-3-4-7(5-6)13-10-15-8(11)14-9(12-2)16-10/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114541947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).