2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine

C7H11FN2 — CID 135224619

IUPAC2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine
SMILESCC(C)C1=CNC(F)N=C1
InChIInChI=1S/C7H11FN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5,7,9H,1-2H3
InChIKeyLSIKOQHZPVJSSG-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.45
Rot. Bonds1

About 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine

2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine (PubChem CID 135224619) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine
PubChem CID135224619
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine
SMILESCC(C)C1=CNC(F)N=C1
InChIInChI=1S/C7H11FN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5,7,9H,1-2H3
InChIKeyLSIKOQHZPVJSSG-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-Methyl dihydropyrimidine
CID 19045921
2-Fluoro-5-methyl-1,2-dihydropyrimidine
CID 21612229
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)-1,2-dihydropyrimidine
CID 89951879
5-Tert-butyl-2-fluoro-1,2-dihydropyrimidine
CID 140758792
(2Z)-3-methyl-2-(methylaminomethylidene)butanimidoyl fluoride
CID 148226857
(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine
CID 170635884
2-(Difluoromethyliminomethyl)-3-methylbut-1-en-1-amine
CID 173798779
5-Isopropylpyrimidin-2(1H)-one
CID 12356153
5-(Propan-2-yl)pyrimidine-2(1H)-thione
CID 12356157
(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine
CID 155735348
5-Tert-butyl-1,2-dihydropyrimidine
CID 21291999
5-Ethyl-1,2-dihydropyrimidine
CID 22725087

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine?
The IUPAC name of 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine (CID 135224619) is 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine?
The canonical SMILES for 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine is CC(C)C1=CNC(F)N=C1.
What is the InChIKey of 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine?
The InChIKey is LSIKOQHZPVJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5,7,9H,1-2H3.
What are the key properties of 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine?
2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine has a molecular weight of 142.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-propan-2-yl-1,2-dihydropyrimidine is sourced from PubChem (CID 135224619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).