4-fluoro-5-propylpyrimidine

C7H9FN2 — CID 168992150

IUPAC4-fluoro-5-propylpyrimidine
SMILESCCCc1cncnc1F
InChIInChI=1S/C7H9FN2/c1-2-3-6-4-9-5-10-7(6)8/h4-5H,2-3H2,1H3
InChIKeyOHIOXACNQHSAQC-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.57
Rot. Bonds2

About 4-fluoro-5-propylpyrimidine

4-fluoro-5-propylpyrimidine (PubChem CID 168992150) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 4-fluoro-5-propylpyrimidine.

Molecular Properties

Compound Name4-fluoro-5-propylpyrimidine
PubChem CID168992150
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name4-fluoro-5-propylpyrimidine
SMILESCCCc1cncnc1F
InChIInChI=1S/C7H9FN2/c1-2-3-6-4-9-5-10-7(6)8/h4-5H,2-3H2,1H3
InChIKeyOHIOXACNQHSAQC-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-5-propylpyridin-3-ol
CID 19082026
5-(chloromethyl)-4-propylpyrimidine
CID 130483129
4-(2-fluorophenyl)-5-pentylpyrimidine
CID 22392430
N-butyl-N-heptan-4-yl-5-propylpyrimidin-4-amine
CID 71106712
4-(2-fluorophenyl)-5-hexylpyrimidine
CID 22392469
CID 174505326
CID 174505326
5-fluoro-1-methyl-4-propylpyrazole
CID 177017540
4-butyl-5-iodopyrimidine
CID 166871786
5-propyl-1H-pyrimidin-6-one
CID 45080420
1-(4-butylpyrimidin-5-yl)ethanone
CID 134232380
N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide
CID 18735515
4-propylpyrimidine
CID 18996562

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propylpyrimidine?
The IUPAC name of 4-fluoro-5-propylpyrimidine (CID 168992150) is 4-fluoro-5-propylpyrimidine.
What is the SMILES notation for 4-fluoro-5-propylpyrimidine?
The canonical SMILES for 4-fluoro-5-propylpyrimidine is CCCc1cncnc1F.
What is the InChIKey of 4-fluoro-5-propylpyrimidine?
The InChIKey is OHIOXACNQHSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-2-3-6-4-9-5-10-7(6)8/h4-5H,2-3H2,1H3.
What are the key properties of 4-fluoro-5-propylpyrimidine?
4-fluoro-5-propylpyrimidine has a molecular weight of 140.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propylpyrimidine is sourced from PubChem (CID 168992150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).