2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one

C16H13FN4O2 — CID 91897489

IUPAC2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(CN=O)c(Nc3ccccc3F)nc12
InChIInChI=1S/C16H13FN4O2/c1-10-5-4-8-21-15(10)20-14(11(9-18-23)16(21)22)19-13-7-3-2-6-12(13)17/h2-8,19H,9H2,1H3
InChIKeyRACVIVWTXVAFAL-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one

2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 91897489) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID91897489
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(CN=O)c(Nc3ccccc3F)nc12
InChIInChI=1S/C16H13FN4O2/c1-10-5-4-8-21-15(10)20-14(11(9-18-23)16(21)22)19-13-7-3-2-6-12(13)17/h2-8,19H,9H2,1H3
InChIKeyRACVIVWTXVAFAL-UHFFFAOYSA-N
XLogP3.15
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 91897489) is 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(CN=O)c(Nc3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RACVIVWTXVAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-10-5-4-8-21-15(10)20-14(11(9-18-23)16(21)22)19-13-7-3-2-6-12(13)17/h2-8,19H,9H2,1H3.
What are the key properties of 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91897489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).