2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine

C11H19FN2 — CID 155204254

IUPAC2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine
SMILESCC(C)C1=CC=NC(C(C)(C)CF)N1
InChIInChI=1S/C11H19FN2/c1-8(2)9-5-6-13-10(14-9)11(3,4)7-12/h5-6,8,10,14H,7H2,1-4H3
InChIKeyQZDVEOMTBHYOAB-UHFFFAOYSA-N
MW198.28 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine

2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine (PubChem CID 155204254) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine
PubChem CID155204254
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine
SMILESCC(C)C1=CC=NC(C(C)(C)CF)N1
InChIInChI=1S/C11H19FN2/c1-8(2)9-5-6-13-10(14-9)11(3,4)7-12/h5-6,8,10,14H,7H2,1-4H3
InChIKeyQZDVEOMTBHYOAB-UHFFFAOYSA-N
XLogP2.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine?
The IUPAC name of 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine (CID 155204254) is 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine?
The canonical SMILES for 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine is CC(C)C1=CC=NC(C(C)(C)CF)N1.
What is the InChIKey of 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine?
The InChIKey is QZDVEOMTBHYOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-8(2)9-5-6-13-10(14-9)11(3,4)7-12/h5-6,8,10,14H,7H2,1-4H3.
What are the key properties of 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine?
2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine has a molecular weight of 198.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-methylpropan-2-yl)-6-propan-2-yl-1,2-dihydropyrimidine is sourced from PubChem (CID 155204254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).