2-(2-fluoropropan-2-yl)-4-methylpyrimidine

C8H11FN2 — CID 138553623

IUPAC2-(2-fluoropropan-2-yl)-4-methylpyrimidine
SMILESCc1ccnc(C(C)(C)F)n1
InChIInChI=1S/C8H11FN2/c1-6-4-5-10-7(11-6)8(2,3)9/h4-5H,1-3H3
InChIKeyVCBVWCBDRHIIEC-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.99
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-4-methylpyrimidine

2-(2-fluoropropan-2-yl)-4-methylpyrimidine (PubChem CID 138553623) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4-methylpyrimidine
PubChem CID138553623
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-(2-fluoropropan-2-yl)-4-methylpyrimidine
SMILESCc1ccnc(C(C)(C)F)n1
InChIInChI=1S/C8H11FN2/c1-6-4-5-10-7(11-6)8(2,3)9/h4-5H,1-3H3
InChIKeyVCBVWCBDRHIIEC-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.99
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)-4-methylpyrimidine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4-methylpyrimidine (CID 138553623) is 2-(2-fluoropropan-2-yl)-4-methylpyrimidine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4-methylpyrimidine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4-methylpyrimidine is Cc1ccnc(C(C)(C)F)n1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4-methylpyrimidine?
The InChIKey is VCBVWCBDRHIIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-4-5-10-7(11-6)8(2,3)9/h4-5H,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-4-methylpyrimidine?
2-(2-fluoropropan-2-yl)-4-methylpyrimidine has a molecular weight of 154.19 g/mol, XLogP of 1.99, 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)-4-methylpyrimidine is sourced from PubChem (CID 138553623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).