2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine

C7H7Cl2FN2 — CID 84676535

IUPAC2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C7H7Cl2FN2/c1-3(2)5-4(10)6(8)12-7(9)11-5/h3H,1-2H3
InChIKeyIGDCMACKOUUSJW-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.05
Rot. Bonds1

About 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine

2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine (PubChem CID 84676535) has the molecular formula C7H7Cl2FN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine
PubChem CID84676535
Molecular FormulaC7H7Cl2FN2
Molecular Weight209.05 g/mol
Exact Mass208.00
IUPAC Name2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C7H7Cl2FN2/c1-3(2)5-4(10)6(8)12-7(9)11-5/h3H,1-2H3
InChIKeyIGDCMACKOUUSJW-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
CID 600353
4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
2,5-Dichloro-4,6-dimethylpyrimidine
CID 13880911
4-Chloro-6-(1-methylethyl)-2-pyrimidinamine
CID 2773619
4,5-Dichloro-6-ethylpyrimidine
CID 11137668
4-Chloro-6-ethyl-5-fluoropyrimidine
CID 16743445
2,4,5-Trichloro-6-ethylpyrimidine
CID 246015
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
2,4-Dichloro-6-ethylpyrimidine
CID 246010
4,5-Dichloro-6-isopropylpyrimidine
CID 19371731
2,4-Dichloro-6-cyclopropylpyrimidine
CID 22309085

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine (CID 84676535) is 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine is CC(C)c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine?
The InChIKey is IGDCMACKOUUSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2/c1-3(2)5-4(10)6(8)12-7(9)11-5/h3H,1-2H3.
What are the key properties of 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine?
2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine has a molecular weight of 209.05 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-propan-2-ylpyrimidine is sourced from PubChem (CID 84676535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).