5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine

C9H8F2N4 — CID 171075042

IUPAC5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine
SMILESCn1c(-c2cncnc2)cnc1C(F)F
InChIInChI=1S/C9H8F2N4/c1-15-7(4-14-9(15)8(10)11)6-2-12-5-13-3-6/h2-5,8H,1H3
InChIKeyBSYWYONOTPEPIR-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.81
Rot. Bonds2

About 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine

5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine (PubChem CID 171075042) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine
PubChem CID171075042
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine
SMILESCn1c(-c2cncnc2)cnc1C(F)F
InChIInChI=1S/C9H8F2N4/c1-15-7(4-14-9(15)8(10)11)6-2-12-5-13-3-6/h2-5,8H,1H3
InChIKeyBSYWYONOTPEPIR-UHFFFAOYSA-N
XLogP1.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US9669029, 116 5,8-Dimethyl-2-[2-(1-methyl-4-pyrimidin-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 134128218
5-[5-Chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
CID 69720655
N,2,5,6-tetramethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]pyrimidin-4-amine
CID 72838340
N~4~-[(1-ethyl-1H-imidazol-2-yl)methyl]-N~2~,N~2~,N~4~,5,6-pentamethylpyrimidine-2,4-diamine
CID 50958463
8-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 56888386
1-(1-ethyl-1H-imidazol-2-yl)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 77083052
4,4'-Bisimidazole, 2,2'-difluoro-1,1'-dimethyl-
CID 607734
5-(1-Chlorovinyl)-4-imidazol-1-yl-2-methyl-6-trifluoromethyl-pyrimidine
CID 12151218
5-Ethynyl-4-imidazol-1-yl-2-methyl-6-trifluoromethylpyrimidine
CID 12151219
5-Chloro-3-(2,3-dimethylimidazol-4-yl)-2-fluoropyrazine
CID 57664666
5-[5-Chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-1-oxidopyrimidin-1-ium
CID 69720831
5-[1,5-Dimethyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
CID 69722305

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine?
The IUPAC name of 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine (CID 171075042) is 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine?
The canonical SMILES for 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine is Cn1c(-c2cncnc2)cnc1C(F)F.
What is the InChIKey of 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine?
The InChIKey is BSYWYONOTPEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c1-15-7(4-14-9(15)8(10)11)6-2-12-5-13-3-6/h2-5,8H,1H3.
What are the key properties of 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine?
5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine has a molecular weight of 210.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-3-methylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 171075042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).