4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

C11H12ClN5O — CID 62857968

IUPAC4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2cccnc2)n1
InChIInChI=1S/C11H12ClN5O/c1-18-11-16-9(12)15-10(17-11)14-6-4-8-3-2-5-13-7-8/h2-3,5,7H,4,6H2,1H3,(H,14,15,16,17)
InChIKeyKTLGVZCKODAZHE-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.58
Rot. Bonds5

About 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 62857968) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
PubChem CID62857968
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2cccnc2)n1
InChIInChI=1S/C11H12ClN5O/c1-18-11-16-9(12)15-10(17-11)14-6-4-8-3-2-5-13-7-8/h2-3,5,7H,4,6H2,1H3,(H,14,15,16,17)
InChIKeyKTLGVZCKODAZHE-UHFFFAOYSA-N
XLogP1.58
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62864756
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
6-methoxy-2-N-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80775435
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 56695154
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (CID 62857968) is 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCc2cccnc2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is KTLGVZCKODAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-18-11-16-9(12)15-10(17-11)14-6-4-8-3-2-5-13-7-8/h2-3,5,7H,4,6H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).