5-tert-butyl-2-fluoro-1,2-dihydropyrimidine

C8H13FN2 — CID 140758792

IUPAC5-tert-butyl-2-fluoro-1,2-dihydropyrimidine
SMILESCC(C)(C)C1=CNC(F)N=C1
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5,7,10H,1-3H3
InChIKeyBMHCAOIKJOZUBW-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.84
Rot. Bonds

About 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine

5-tert-butyl-2-fluoro-1,2-dihydropyrimidine (PubChem CID 140758792) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-1,2-dihydropyrimidine
PubChem CID140758792
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name5-tert-butyl-2-fluoro-1,2-dihydropyrimidine
SMILESCC(C)(C)C1=CNC(F)N=C1
InChIInChI=1S/C8H13FN2/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5,7,10H,1-3H3
InChIKeyBMHCAOIKJOZUBW-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.84
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

2-Fluoro-5-methyl-1,2-dihydropyrimidine
CID 21612229
2-Fluoro-5-propan-2-yl-1,2-dihydropyrimidine
CID 135224619
3,3-Dimethyl-2-(trifluoromethyliminomethyl)but-1-en-1-amine
CID 173923518
5-(tert-butyl)pyrimidin-2(1H)-one
CID 14943594
5-Tert-butyl-1,2-dihydropyrimidine
CID 21291999
(Z)-N,3,3-trimethyl-2-(methyliminomethyl)but-1-en-1-amine
CID 21719598
5-Ethyl-1,2-dihydropyrimidine
CID 22725087
5-ethyl-2-methylidene-1H-pyrimidine
CID 57672212
5-tert-butyl-2-methylidene-1H-pyrimidine
CID 59212608
5-Propan-2-yl-1,2-dihydropyrimidin-2-amine
CID 68299706
2-methylidene-5-propan-2-yl-1H-pyrimidine
CID 89965841
5-Propan-2-yl-1,2-dihydropyrimidine
CID 90392407

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
The IUPAC name of 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine (CID 140758792) is 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine.
What is the SMILES notation for 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
The canonical SMILES for 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine is CC(C)(C)C1=CNC(F)N=C1.
What is the InChIKey of 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
The InChIKey is BMHCAOIKJOZUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-8(2,3)6-4-10-7(9)11-5-6/h4-5,7,10H,1-3H3.
What are the key properties of 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine?
5-tert-butyl-2-fluoro-1,2-dihydropyrimidine has a molecular weight of 156.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-1,2-dihydropyrimidine is sourced from PubChem (CID 140758792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).