2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H13FN2OS — CID 7681398

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CSc3ccccc3F)cc(=O)n2c1
InChIInChI=1S/C16H13FN2OS/c1-11-6-7-15-18-12(8-16(20)19(15)9-11)10-21-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3
InChIKeyNSQJNYSRLRKHSY-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.43
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 7681398) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID7681398
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CSc3ccccc3F)cc(=O)n2c1
InChIInChI=1S/C16H13FN2OS/c1-11-6-7-15-18-12(8-16(20)19(15)9-11)10-21-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3
InChIKeyNSQJNYSRLRKHSY-UHFFFAOYSA-N
XLogP3.43
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 7681398) is 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CSc3ccccc3F)cc(=O)n2c1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NSQJNYSRLRKHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-11-6-7-15-18-12(8-16(20)19(15)9-11)10-21-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 7681398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).