8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one

C12H14FN3O — CID 175774541

IUPAC8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)(C)Cn1c(=O)c(F)cc2cncnc21
InChIInChI=1S/C12H14FN3O/c1-12(2,3)6-16-10-8(5-14-7-15-10)4-9(13)11(16)17/h4-5,7H,6H2,1-3H3
InChIKeyQLAKHWHCTSZDPI-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.98
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one

8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one (PubChem CID 175774541) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one
PubChem CID175774541
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)(C)Cn1c(=O)c(F)cc2cncnc21
InChIInChI=1S/C12H14FN3O/c1-12(2,3)6-16-10-8(5-14-7-15-10)4-9(13)11(16)17/h4-5,7H,6H2,1-3H3
InChIKeyQLAKHWHCTSZDPI-UHFFFAOYSA-N
XLogP1.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one (CID 175774541) is 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one is CC(C)(C)Cn1c(=O)c(F)cc2cncnc21.
What is the InChIKey of 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QLAKHWHCTSZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(2,3)6-16-10-8(5-14-7-15-10)4-9(13)11(16)17/h4-5,7H,6H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one?
8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 235.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).