4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine

C9H12ClFN2 — CID 146377567

IUPAC4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine
SMILESCCC(C)(C)c1cnc(F)nc1Cl
InChIInChI=1S/C9H12ClFN2/c1-4-9(2,3)6-5-12-8(11)13-7(6)10/h5H,4H2,1-3H3
InChIKeyVLSJAUVSQIKZTE-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.96
Rot. Bonds2

About 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine

4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine (PubChem CID 146377567) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine
PubChem CID146377567
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine
SMILESCCC(C)(C)c1cnc(F)nc1Cl
InChIInChI=1S/C9H12ClFN2/c1-4-9(2,3)6-5-12-8(11)13-7(6)10/h5H,4H2,1-3H3
InChIKeyVLSJAUVSQIKZTE-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine (CID 146377567) is 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine is CCC(C)(C)c1cnc(F)nc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine?
The InChIKey is VLSJAUVSQIKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-4-9(2,3)6-5-12-8(11)13-7(6)10/h5H,4H2,1-3H3.
What are the key properties of 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine?
4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine has a molecular weight of 202.66 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine is sourced from PubChem (CID 146377567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).