4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C19H20FN7O — CID 66612154

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2ncc(C=C(C)C)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C19H20FN7O/c1-10(2)5-12-6-14(17-24-11(3)25-19(21)27-17)16(22-8-12)26-13-7-15(20)18(28-4)23-9-13/h5-9H,1-4H3,(H,22,26)(H2,21,24,25,27)
InChIKeyJNUDOCZXLWPEHC-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.53
Rot. Bonds5

About 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66612154) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66612154
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2ncc(C=C(C)C)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C19H20FN7O/c1-10(2)5-12-6-14(17-24-11(3)25-19(21)27-17)16(22-8-12)26-13-7-15(20)18(28-4)23-9-13/h5-9H,1-4H3,(H,22,26)(H2,21,24,25,27)
InChIKeyJNUDOCZXLWPEHC-UHFFFAOYSA-N
XLogP3.53
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 66612154) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ncc(Nc2ncc(C=C(C)C)cc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is JNUDOCZXLWPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-10(2)5-12-6-14(17-24-11(3)25-19(21)27-17)16(22-8-12)26-13-7-15(20)18(28-4)23-9-13/h5-9H,1-4H3,(H,22,26)(H2,21,24,25,27).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 381.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methylprop-1-enyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66612154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).