2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine

C7H7Cl2FN2 — CID 123537576

IUPAC2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2FN2/c1-7(2,10)4-3-11-6(9)12-5(4)8/h3H,1-2H3
InChIKeyQGYRWKFFNFHJTQ-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.99
Rot. Bonds1

About 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine

2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine (PubChem CID 123537576) has the molecular formula C7H7Cl2FN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine
PubChem CID123537576
Molecular FormulaC7H7Cl2FN2
Molecular Weight209.05 g/mol
Exact Mass208.00
IUPAC Name2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2FN2/c1-7(2,10)4-3-11-6(9)12-5(4)8/h3H,1-2H3
InChIKeyQGYRWKFFNFHJTQ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine (CID 123537576) is 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine is CC(C)(F)c1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine?
The InChIKey is QGYRWKFFNFHJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2/c1-7(2,10)4-3-11-6(9)12-5(4)8/h3H,1-2H3.
What are the key properties of 2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine?
2,4-dichloro-5-(2-fluoropropan-2-yl)pyrimidine has a molecular weight of 209.05 g/mol, XLogP of 2.99, 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-(2-fluoropropan-2-yl)pyrimidine is sourced from PubChem (CID 123537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).