4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine

C11H12ClFN4 — CID 159993536

IUPAC4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCC(C)c1nc(-c2ncc(F)c(Cl)n2)cn1C
InChIInChI=1S/C11H12ClFN4/c1-6(2)11-15-8(5-17(11)3)10-14-4-7(13)9(12)16-10/h4-6H,1-3H3
InChIKeyUOPOSDRMJBUBFG-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.79
Rot. Bonds2

About 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine

4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 159993536) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID159993536
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCC(C)c1nc(-c2ncc(F)c(Cl)n2)cn1C
InChIInChI=1S/C11H12ClFN4/c1-6(2)11-15-8(5-17(11)3)10-14-4-7(13)9(12)16-10/h4-6H,1-3H3
InChIKeyUOPOSDRMJBUBFG-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Chloro-3-methylimidazo(1,5-a)pyrazine
CID 12240476
1-Chloro-3-methylimidazo[1,5-a]pyrazine
CID 293611
4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine
CID 26369835
4-chloro-6-(1H-imidazol-1-yl)-2-methylpyrimidine
CID 59122280
6-chloro-N~4~-[3-(1H-imidazol-1-yl)propyl]pyrimidine-4,5-diamine
CID 3926471
1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97466934
1-(1-isobutyl-1H-imidazol-5-yl)-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 131907392
5-chloro-N-[(1-isobutyl-1H-imidazol-5-yl)methyl]pyrimidin-2-amine
CID 132421530
2-Chloro-5-fluoro-4-(2-methylimidazolyl)pyrimidine
CID 4461606
2-chloro-5-fluoro-4-(1H-imidazol-1-yl)pyrimidine
CID 10465351
2-Chloro-5-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine
CID 71319131
8-Chloro-3-(3-fluorocyclobutyl)imidazo[1,5-a]pyrazine
CID 130348895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine (CID 159993536) is 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine is CC(C)c1nc(-c2ncc(F)c(Cl)n2)cn1C.
What is the InChIKey of 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is UOPOSDRMJBUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-6(2)11-15-8(5-17(11)3)10-14-4-7(13)9(12)16-10/h4-6H,1-3H3.
What are the key properties of 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine?
4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 254.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 159993536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).