2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine

C9H11FN2 — CID 141053132

IUPAC2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
SMILESFCC1CCN2C=CC=CC2=N1
InChIInChI=1S/C9H11FN2/c10-7-8-4-6-12-5-2-1-3-9(12)11-8/h1-3,5,8H,4,6-7H2
InChIKeyXDAUVERBRHTIIK-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.51
Rot. Bonds1

About 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine

2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141053132) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141053132
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
SMILESFCC1CCN2C=CC=CC2=N1
InChIInChI=1S/C9H11FN2/c10-7-8-4-6-12-5-2-1-3-9(12)11-8/h1-3,5,8H,4,6-7H2
InChIKeyXDAUVERBRHTIIK-UHFFFAOYSA-N
XLogP1.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrido[1,2-a]pyrimidine
CID 20094215
3,4-Dihydro-2h-pyrido[1,2-a]pyrimidine
CID 21111582
4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 91528254
4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
7-fluoro-4H-pyrido[1,2-a]pyrimidine
CID 169220442
2-Fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine
CID 15517155
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225
N-methyl-1-propan-2-ylpyridin-2-imine
CID 139455075
2-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 141053130
2-propyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 141053134

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine (CID 141053132) is 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine is FCC1CCN2C=CC=CC2=N1.
What is the InChIKey of 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is XDAUVERBRHTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-7-8-4-6-12-5-2-1-3-9(12)11-8/h1-3,5,8H,4,6-7H2.
What are the key properties of 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 166.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141053132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).