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

C12H15FN6 — CID 129149972

IUPAC2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(Nc2nc(C)cc(F)c2C)n1
InChIInChI=1S/C12H15FN6/c1-6-5-9(13)7(2)10(15-6)18-12-17-8(3)16-11(14-4)19-12/h5H,1-4H3,(H2,14,15,16,17,18,19)
InChIKeyADSRYZLBLRZNHC-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.12
Rot. Bonds3

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

2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 129149972) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID129149972
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(Nc2nc(C)cc(F)c2C)n1
InChIInChI=1S/C12H15FN6/c1-6-5-9(13)7(2)10(15-6)18-12-17-8(3)16-11(14-4)19-12/h5H,1-4H3,(H2,14,15,16,17,18,19)
InChIKeyADSRYZLBLRZNHC-UHFFFAOYSA-N
XLogP2.12
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 129149972) is 2-N-(4-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-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(C)nc(Nc2nc(C)cc(F)c2C)n1.
What is the InChIKey of 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ADSRYZLBLRZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-6-5-9(13)7(2)10(15-6)18-12-17-8(3)16-11(14-4)19-12/h5H,1-4H3,(H2,14,15,16,17,18,19).
What are the key properties of 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 262.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129149972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).