4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine

C8H10ClFN2 — CID 170730417

IUPAC4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C(C)CF)n1
InChIInChI=1S/C8H10ClFN2/c1-5(4-10)8-11-6(2)3-7(9)12-8/h3,5H,4H2,1-2H3
InChIKeyOPYOOFBIYYOJNX-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.51
Rot. Bonds2

About 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine

4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine (PubChem CID 170730417) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine
PubChem CID170730417
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C(C)CF)n1
InChIInChI=1S/C8H10ClFN2/c1-5(4-10)8-11-6(2)3-7(9)12-8/h3,5H,4H2,1-2H3
InChIKeyOPYOOFBIYYOJNX-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine (CID 170730417) is 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine is Cc1cc(Cl)nc(C(C)CF)n1.
What is the InChIKey of 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine?
The InChIKey is OPYOOFBIYYOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-5(4-10)8-11-6(2)3-7(9)12-8/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine?
4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine has a molecular weight of 188.63 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-fluoropropan-2-yl)-6-methylpyrimidine is sourced from PubChem (CID 170730417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).