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

C11H13ClN6 — CID 80808976

IUPAC6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccncc1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C11H13ClN6/c1-2-18(7-8-3-5-14-6-4-8)11-16-9(12)15-10(13)17-11/h3-6H,2,7H2,1H3,(H2,13,15,16,17)
InChIKeyDREMQMJSLXWDSQ-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.53
Rot. Bonds4

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

6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80808976) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80808976
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccncc1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C11H13ClN6/c1-2-18(7-8-3-5-14-6-4-8)11-16-9(12)15-10(13)17-11/h3-6H,2,7H2,1H3,(H2,13,15,16,17)
InChIKeyDREMQMJSLXWDSQ-UHFFFAOYSA-N
XLogP1.53
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62864913
6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849489
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
4-N,2-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80933730
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 166178436
2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80808976) is 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is CCN(Cc1ccncc1)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DREMQMJSLXWDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c1-2-18(7-8-3-5-14-6-4-8)11-16-9(12)15-10(13)17-11/h3-6H,2,7H2,1H3,(H2,13,15,16,17).
What are the key properties of 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 264.72 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80808976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).