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

C13H17ClN6 — CID 80786890

IUPAC6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C13H17ClN6/c1-3-7-16-12-17-11(14)18-13(19-12)20(2)9-10-6-4-5-8-15-10/h4-6,8H,3,7,9H2,1-2H3,(H,16,17,18,19)
InChIKeyOLGHKZAQAOWHFU-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.38
Rot. Bonds6

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

6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80786890) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80786890
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C13H17ClN6/c1-3-7-16-12-17-11(14)18-13(19-12)20(2)9-10-6-4-5-8-15-10/h4-6,8H,3,7,9H2,1-2H3,(H,16,17,18,19)
InChIKeyOLGHKZAQAOWHFU-UHFFFAOYSA-N
XLogP2.38
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
6-chloro-2-N-methyl-4-N-propyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781480
4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 62865087
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
6-chloro-4-N-ethyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781663
2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80790537
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
4-hydrazinyl-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80898355

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80786890) is 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(C)Cc2ccccn2)n1.
What is the InChIKey of 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OLGHKZAQAOWHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-3-7-16-12-17-11(14)18-13(19-12)20(2)9-10-6-4-5-8-15-10/h4-6,8H,3,7,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 292.77 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80786890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).