6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine

C14H12FN5O — CID 118712087

IUPAC6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1F
InChIInChI=1S/C14H12FN5O/c1-7-10-3-8(5-17-12(10)20-14(16)19-7)9-4-11(15)13(21-2)18-6-9/h3-6H,1-2H3,(H2,16,17,19,20)
InChIKeyVVGFOQLZSIGVJU-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.13
Rot. Bonds2

About 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine

6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 118712087) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID118712087
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1F
InChIInChI=1S/C14H12FN5O/c1-7-10-3-8(5-17-12(10)20-14(16)19-7)9-4-11(15)13(21-2)18-6-9/h3-6H,1-2H3,(H2,16,17,19,20)
InChIKeyVVGFOQLZSIGVJU-UHFFFAOYSA-N
XLogP2.13
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine (CID 118712087) is 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1F.
What is the InChIKey of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is VVGFOQLZSIGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-7-10-3-8(5-17-12(10)20-14(16)19-7)9-4-11(15)13(21-2)18-6-9/h3-6H,1-2H3,(H2,16,17,19,20).
What are the key properties of 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine?
6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 285.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 118712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).