3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one

C10H10FN3O — CID 86817776

IUPAC3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CCCF
InChIInChI=1S/C10H10FN3O/c11-3-1-5-14-7-13-9-6-12-4-2-8(9)10(14)15/h2,4,6-7H,1,3,5H2
InChIKeyMBMJJQISJYLYAL-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.15
Rot. Bonds3

About 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one

3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 86817776) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID86817776
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1CCCF
InChIInChI=1S/C10H10FN3O/c11-3-1-5-14-7-13-9-6-12-4-2-8(9)10(14)15/h2,4,6-7H,1,3,5H2
InChIKeyMBMJJQISJYLYAL-UHFFFAOYSA-N
XLogP1.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one (CID 86817776) is 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MBMJJQISJYLYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-3-1-5-14-7-13-9-6-12-4-2-8(9)10(14)15/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one?
3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 207.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 86817776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).