4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine

C9H8ClN5O — CID 80883497

IUPAC4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
SMILESCc1ncccc1Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H8ClN5O/c1-5-6(3-2-4-12-5)16-9-14-7(10)13-8(11)15-9/h2-4H,1H3,(H2,11,13,14,15)
InChIKeyYJWWTTXAIQUCSB-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.60
Rot. Bonds2

About 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine

4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine (PubChem CID 80883497) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
PubChem CID80883497
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
SMILESCc1ncccc1Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H8ClN5O/c1-5-6(3-2-4-12-5)16-9-14-7(10)13-8(11)15-9/h2-4H,1H3,(H2,11,13,14,15)
InChIKeyYJWWTTXAIQUCSB-UHFFFAOYSA-N
XLogP1.60
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine (CID 80883497) is 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine is Cc1ncccc1Oc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
The InChIKey is YJWWTTXAIQUCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-5-6(3-2-4-12-5)16-9-14-7(10)13-8(11)15-9/h2-4H,1H3,(H2,11,13,14,15).
What are the key properties of 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine?
4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine has a molecular weight of 237.65 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).