4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine

C16H18F2N4 — CID 126850021

IUPAC4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(N2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C16H18F2N4/c17-16(18)14-10-15(20-12-19-14)22-8-6-21(7-9-22)11-13-4-2-1-3-5-13/h1-5,10,12,16H,6-9,11H2
InChIKeyBTCOPCGFZYMSIX-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.74
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine

4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine (PubChem CID 126850021) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
PubChem CID126850021
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
SMILESFC(F)c1cc(N2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C16H18F2N4/c17-16(18)14-10-15(20-12-19-14)22-8-6-21(7-9-22)11-13-4-2-1-3-5-13/h1-5,10,12,16H,6-9,11H2
InChIKeyBTCOPCGFZYMSIX-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995248
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 171994455
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
3-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]phenol
CID 166257159
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
CID 166366810
4-benzyl-8-(6-fluoropyrimidin-4-yl)-1,4,8-oxadiazecane
CID 136571637

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine (CID 126850021) is 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine is FC(F)c1cc(N2CCN(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine?
The InChIKey is BTCOPCGFZYMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4/c17-16(18)14-10-15(20-12-19-14)22-8-6-21(7-9-22)11-13-4-2-1-3-5-13/h1-5,10,12,16H,6-9,11H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine?
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine has a molecular weight of 304.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine is sourced from PubChem (CID 126850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).