2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine

C12H14ClFN6 — CID 129149967

IUPAC2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(Nc2nc(C)c(F)c(Cl)c2C)n1
InChIInChI=1S/C12H14ClFN6/c1-5-8(13)9(14)6(2)16-10(5)19-12-18-7(3)17-11(15-4)20-12/h1-4H3,(H2,15,16,17,18,19,20)
InChIKeyOTLVJRSTXPGPOF-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.77
Rot. Bonds3

About 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine

2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 129149967) has the molecular formula C12H14ClFN6 and a molecular weight of 296.74 g/mol. Its IUPAC name is 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID129149967
Molecular FormulaC12H14ClFN6
Molecular Weight296.74 g/mol
Exact Mass296.10
IUPAC Name2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(Nc2nc(C)c(F)c(Cl)c2C)n1
InChIInChI=1S/C12H14ClFN6/c1-5-8(13)9(14)6(2)16-10(5)19-12-18-7(3)17-11(15-4)20-12/h1-4H3,(H2,15,16,17,18,19,20)
InChIKeyOTLVJRSTXPGPOF-UHFFFAOYSA-N
XLogP2.77
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 129149967) is 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(C)nc(Nc2nc(C)c(F)c(Cl)c2C)n1.
What is the InChIKey of 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OTLVJRSTXPGPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN6/c1-5-8(13)9(14)6(2)16-10(5)19-12-18-7(3)17-11(15-4)20-12/h1-4H3,(H2,15,16,17,18,19,20).
What are the key properties of 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-5-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129149967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).