7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one

C15H13FN2O2 — CID 57466625

IUPAC7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(-c3cncnc3)c(F)cc2O1
InChIInChI=1S/C15H13FN2O2/c1-15(2)5-13(19)11-3-10(9-6-17-8-18-7-9)12(16)4-14(11)20-15/h3-4,6-8H,5H2,1-2H3
InChIKeyUAIBSENONMLRQP-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.03
Rot. Bonds1

About 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one

7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one (PubChem CID 57466625) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one.

Molecular Properties

Compound Name7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one
PubChem CID57466625
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(-c3cncnc3)c(F)cc2O1
InChIInChI=1S/C15H13FN2O2/c1-15(2)5-13(19)11-3-10(9-6-17-8-18-7-9)12(16)4-14(11)20-15/h3-4,6-8H,5H2,1-2H3
InChIKeyUAIBSENONMLRQP-UHFFFAOYSA-N
XLogP3.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one?
The IUPAC name of 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one (CID 57466625) is 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one.
What is the SMILES notation for 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one?
The canonical SMILES for 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one is CC1(C)CC(=O)c2cc(-c3cncnc3)c(F)cc2O1.
What is the InChIKey of 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one?
The InChIKey is UAIBSENONMLRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-15(2)5-13(19)11-3-10(9-6-17-8-18-7-9)12(16)4-14(11)20-15/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one?
7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one has a molecular weight of 272.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,2-dimethyl-6-pyrimidin-5-yl-3H-chromen-4-one is sourced from PubChem (CID 57466625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).