4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine

C11H16ClFN2 — CID 130506952

IUPAC4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(C(C)C(C)(C)C)nc(Cl)c1F
InChIInChI=1S/C11H16ClFN2/c1-6(11(3,4)5)10-14-7(2)8(13)9(12)15-10/h6H,1-5H3
InChIKeyPIUQWEFUHPWEJW-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.73
Rot. Bonds1

About 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine (PubChem CID 130506952) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine
PubChem CID130506952
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(C(C)C(C)(C)C)nc(Cl)c1F
InChIInChI=1S/C11H16ClFN2/c1-6(11(3,4)5)10-14-7(2)8(13)9(12)15-10/h6H,1-5H3
InChIKeyPIUQWEFUHPWEJW-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(1-chloroethyl)-5-fluoro-6-methylpyrimidine
CID 80663151
4,6-dichloro-5-fluoro-2-propan-2-ylpyrimidine
CID 79033231
4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706694
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
CID 116633050
2-tert-butyl-4,6-dichloro-5-fluoropyrimidine
CID 79033233
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 116729227
5-bromo-4-chloro-2-(1-chloroethyl)-6-methylpyrimidine
CID 80663394
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
4-tert-butyl-2,6-dichloro-5-fluoropyrimidine
CID 84688088
2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
CID 177008253
4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
CID 89394919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine (CID 130506952) is 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine is Cc1nc(C(C)C(C)(C)C)nc(Cl)c1F.
What is the InChIKey of 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine?
The InChIKey is PIUQWEFUHPWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-6(11(3,4)5)10-14-7(2)8(13)9(12)15-10/h6H,1-5H3.
What are the key properties of 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine has a molecular weight of 230.71 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 130506952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).