4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine

C10H15FN2 — CID 123932885

IUPAC4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine
SMILESCc1cc(C(F)CC(C)C)ncn1
InChIInChI=1S/C10H15FN2/c1-7(2)4-9(11)10-5-8(3)12-6-13-10/h5-7,9H,4H2,1-3H3
InChIKeyJHQSACNJGKTKPX-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.84
Rot. Bonds3

About 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine

4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine (PubChem CID 123932885) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine
PubChem CID123932885
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine
SMILESCc1cc(C(F)CC(C)C)ncn1
InChIInChI=1S/C10H15FN2/c1-7(2)4-9(11)10-5-8(3)12-6-13-10/h5-7,9H,4H2,1-3H3
InChIKeyJHQSACNJGKTKPX-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine?
The IUPAC name of 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine (CID 123932885) is 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine?
The canonical SMILES for 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine is Cc1cc(C(F)CC(C)C)ncn1.
What is the InChIKey of 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine?
The InChIKey is JHQSACNJGKTKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(2)4-9(11)10-5-8(3)12-6-13-10/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine?
4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine has a molecular weight of 182.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-3-methylbutyl)-6-methylpyrimidine is sourced from PubChem (CID 123932885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).