2-(2-fluoropropan-2-yl)pyrimidine

C7H9FN2 — CID 54511926

IUPAC2-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1ncccn1
InChIInChI=1S/C7H9FN2/c1-7(2,8)6-9-4-3-5-10-6/h3-5H,1-2H3
InChIKeyYJSYEIZCQWIGGO-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.68
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)pyrimidine

2-(2-fluoropropan-2-yl)pyrimidine (PubChem CID 54511926) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)pyrimidine
PubChem CID54511926
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name2-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1ncccn1
InChIInChI=1S/C7H9FN2/c1-7(2,8)6-9-4-3-5-10-6/h3-5H,1-2H3
InChIKeyYJSYEIZCQWIGGO-UHFFFAOYSA-N
XLogP1.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)pyrimidine?
The IUPAC name of 2-(2-fluoropropan-2-yl)pyrimidine (CID 54511926) is 2-(2-fluoropropan-2-yl)pyrimidine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)pyrimidine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)pyrimidine is CC(C)(F)c1ncccn1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)pyrimidine?
The InChIKey is YJSYEIZCQWIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-7(2,8)6-9-4-3-5-10-6/h3-5H,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)pyrimidine?
2-(2-fluoropropan-2-yl)pyrimidine has a molecular weight of 140.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)pyrimidine is sourced from PubChem (CID 54511926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).