2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine

C10H9ClN4O — CID 66279714

IUPAC2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2ccncc2C)n1
InChIInChI=1S/C10H9ClN4O/c1-6-5-12-4-3-7(6)8-13-9(11)15-10(14-8)16-2/h3-5H,1-2H3
InChIKeyBSVMLVWKXHGXOW-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.90
Rot. Bonds2

About 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine

2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine (PubChem CID 66279714) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
PubChem CID66279714
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2ccncc2C)n1
InChIInChI=1S/C10H9ClN4O/c1-6-5-12-4-3-7(6)8-13-9(11)15-10(14-8)16-2/h3-5H,1-2H3
InChIKeyBSVMLVWKXHGXOW-UHFFFAOYSA-N
XLogP1.90
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine (CID 66279714) is 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine is COc1nc(Cl)nc(-c2ccncc2C)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine?
The InChIKey is BSVMLVWKXHGXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-5-12-4-3-7(6)8-13-9(11)15-10(14-8)16-2/h3-5H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine has a molecular weight of 236.66 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 66279714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).