4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine

C18H24F2N4 — CID 146929566

IUPAC4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine
SMILESCCc1cc(C)n(-c2nc(C)cc(CC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C18H24F2N4/c1-4-15-10-13(3)24(23-15)17-21-12(2)9-16(22-17)11-14-5-7-18(19,20)8-6-14/h9-10,14H,4-8,11H2,1-3H3
InChIKeyAESQZDJBLPBRBB-UHFFFAOYSA-N
MW334.41 g/mol
LogP4.21
Rot. Bonds4

About 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine

4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine (PubChem CID 146929566) has the molecular formula C18H24F2N4 and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine
PubChem CID146929566
Molecular FormulaC18H24F2N4
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Name4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine
SMILESCCc1cc(C)n(-c2nc(C)cc(CC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C18H24F2N4/c1-4-15-10-13(3)24(23-15)17-21-12(2)9-16(22-17)11-14-5-7-18(19,20)8-6-14/h9-10,14H,4-8,11H2,1-3H3
InChIKeyAESQZDJBLPBRBB-UHFFFAOYSA-N
XLogP4.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 754722
5,7-Di(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 290557
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 659419
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 15988920
2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 2942005
2-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 76309277
2-[3-(4-Fluorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 76309844
4,6-Dimethyl-2-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 76320790
4,6-Dimethyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 76323867
4,6-Dimethyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 76331655
2-[5-(4-Fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 76331656

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine?
The IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine (CID 146929566) is 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine?
The canonical SMILES for 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine is CCc1cc(C)n(-c2nc(C)cc(CC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine?
The InChIKey is AESQZDJBLPBRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4/c1-4-15-10-13(3)24(23-15)17-21-12(2)9-16(22-17)11-14-5-7-18(19,20)8-6-14/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine?
4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine has a molecular weight of 334.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluorocyclohexyl)methyl]-2-(3-ethyl-5-methylpyrazol-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 146929566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).