6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine

C10H11ClN6 — CID 80781008

IUPAC6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(Cl)n1)c1cccnc1
InChIInChI=1S/C10H11ClN6/c1-6(7-3-2-4-13-5-7)14-10-16-8(11)15-9(12)17-10/h2-6H,1H3,(H3,12,14,15,16,17)
InChIKeyQWEDBVGZVQZLHG-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.68
Rot. Bonds3

About 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80781008) has the molecular formula C10H11ClN6 and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80781008
Molecular FormulaC10H11ClN6
Molecular Weight250.69 g/mol
Exact Mass250.07
IUPAC Name6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(Cl)n1)c1cccnc1
InChIInChI=1S/C10H11ClN6/c1-6(7-3-2-4-13-5-7)14-10-16-8(11)15-9(12)17-10/h2-6H,1H3,(H3,12,14,15,16,17)
InChIKeyQWEDBVGZVQZLHG-UHFFFAOYSA-N
XLogP1.68
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
CID 112636707
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80781008) is 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(Cl)n1)c1cccnc1.
What is the InChIKey of 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QWEDBVGZVQZLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6/c1-6(7-3-2-4-13-5-7)14-10-16-8(11)15-9(12)17-10/h2-6H,1H3,(H3,12,14,15,16,17).
What are the key properties of 6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 250.69 g/mol, XLogP of 1.68, 3 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-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80781008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).