6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C12H14F2N4O — CID 170538147

IUPAC6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(C(F)F)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C12H14F2N4O/c1-6(2)18-10-7(5-16-12(15-3)17-10)4-8(9(13)14)11(18)19/h4-6,9H,1-3H3,(H,15,16,17)
InChIKeyUXLNZJIFTQNICT-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.35
Rot. Bonds3

About 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170538147) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170538147
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(C(F)F)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C12H14F2N4O/c1-6(2)18-10-7(5-16-12(15-3)17-10)4-8(9(13)14)11(18)19/h4-6,9H,1-3H3,(H,15,16,17)
InChIKeyUXLNZJIFTQNICT-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170538147) is 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(C(F)F)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UXLNZJIFTQNICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-6(2)18-10-7(5-16-12(15-3)17-10)4-8(9(13)14)11(18)19/h4-6,9H,1-3H3,(H,15,16,17).
What are the key properties of 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 268.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-(methylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170538147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).