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

C11H19ClN6 — CID 80801238

IUPAC6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCCC(Nc2nc(Cl)nc(NC)n2)C1
InChIInChI=1S/C11H19ClN6/c1-3-18-6-4-5-8(7-18)14-11-16-9(12)15-10(13-2)17-11/h8H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyIVGAXOWHGIVGJY-UHFFFAOYSA-N
MW270.77 g/mol
LogP1.46
Rot. Bonds4

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

6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80801238) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80801238
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCCC(Nc2nc(Cl)nc(NC)n2)C1
InChIInChI=1S/C11H19ClN6/c1-3-18-6-4-5-8(7-18)14-11-16-9(12)15-10(13-2)17-11/h8H,3-7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyIVGAXOWHGIVGJY-UHFFFAOYSA-N
XLogP1.46
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(1-ethylpiperidin-3-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80901082
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
1-ethyl-N-(1-methylimidazol-2-yl)piperidin-3-amine
CID 62133127
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
5-cyclopropyl-N-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 131904905
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
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
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
2-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546898
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80801238) is 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCN1CCCC(Nc2nc(Cl)nc(NC)n2)C1.
What is the InChIKey of 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IVGAXOWHGIVGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-3-18-6-4-5-8(7-18)14-11-16-9(12)15-10(13-2)17-11/h8H,3-7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 270.77 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80801238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).