4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine

C15H16ClFN2 — CID 80975455

IUPAC4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1ccc(F)cc1-c1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C15H16ClFN2/c1-8(2)15-18-13(10(4)14(16)19-15)12-7-11(17)6-5-9(12)3/h5-8H,1-4H3
InChIKeyMUGONHNLINBGLD-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.68
Rot. Bonds2

About 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80975455) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80975455
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1ccc(F)cc1-c1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C15H16ClFN2/c1-8(2)15-18-13(10(4)14(16)19-15)12-7-11(17)6-5-9(12)3/h5-8H,1-4H3
InChIKeyMUGONHNLINBGLD-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952149
4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975464
4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975705
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
4-(1-benzothiophen-7-yl)-6-chloro-5-methyl-2-propan-2-ylpyrimidine
CID 81148213
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193591
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975882
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 80975455) is 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine is Cc1ccc(F)cc1-c1nc(C(C)C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is MUGONHNLINBGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-8(2)15-18-13(10(4)14(16)19-15)12-7-11(17)6-5-9(12)3/h5-8H,1-4H3.
What are the key properties of 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 278.76 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80975455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).