4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine

C21H21F2N5 — CID 112896317

IUPAC4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(F)c1Nc1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H21F2N5/c22-17-7-4-8-18(23)20(17)26-21-24-10-9-19(25-21)28-13-11-27(12-14-28)15-16-5-2-1-3-6-16/h1-10H,11-15H2,(H,24,25,26)
InChIKeyOWAJOMIAUAGBQP-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.82
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine (PubChem CID 112896317) has the molecular formula C21H21F2N5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
PubChem CID112896317
Molecular FormulaC21H21F2N5
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(F)c1Nc1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H21F2N5/c22-17-7-4-8-18(23)20(17)26-21-24-10-9-19(25-21)28-13-11-27(12-14-28)15-16-5-2-1-3-6-16/h1-10H,11-15H2,(H,24,25,26)
InChIKeyOWAJOMIAUAGBQP-UHFFFAOYSA-N
XLogP3.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896286
N-(2,6-difluorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898325
4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112922111
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
1-benzyl-4-(6-fluoro-2-pyridinyl)-1,4-diazepane
CID 130624204
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine (CID 112896317) is 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine is Fc1cccc(F)c1Nc1nccc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine?
The InChIKey is OWAJOMIAUAGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5/c22-17-7-4-8-18(23)20(17)26-21-24-10-9-19(25-21)28-13-11-27(12-14-28)15-16-5-2-1-3-6-16/h1-10H,11-15H2,(H,24,25,26).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine has a molecular weight of 381.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 112896317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).