4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

C19H20F2N6 — CID 154581240

IUPAC4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C19H20F2N6/c1-14-23-18(12-19(24-14)27-6-2-5-22-27)26-9-7-25(8-10-26)13-15-3-4-16(20)17(21)11-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyQAUSUJQGUHJJHG-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.57
Rot. Bonds4

About 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (PubChem CID 154581240) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
PubChem CID154581240
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC Name4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C19H20F2N6/c1-14-23-18(12-19(24-14)27-6-2-5-22-27)26-9-7-25(8-10-26)13-15-3-4-16(20)17(21)11-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyQAUSUJQGUHJJHG-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581270
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 166605280
2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163346366
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983
4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 50979339
1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 163354538
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 50944762
2-methyl-4-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337886
4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 163349540
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316237
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (CID 154581240) is 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is Cc1nc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The InChIKey is QAUSUJQGUHJJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c1-14-23-18(12-19(24-14)27-6-2-5-22-27)26-9-7-25(8-10-26)13-15-3-4-16(20)17(21)11-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine has a molecular weight of 370.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 154581240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).