4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine

C22H24FN5 — CID 112922111

IUPAC4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C22H24FN5/c1-17-15-21(26-22(24-17)25-20-10-6-5-9-19(20)23)28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyWLOTTYWVOGURKT-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.99
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 112922111) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID112922111
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C22H24FN5/c1-17-15-21(26-22(24-17)25-20-10-6-5-9-19(20)23)28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyWLOTTYWVOGURKT-UHFFFAOYSA-N
XLogP3.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914561
1-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194176
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 112908701
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914275
N-(2-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914216
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
N-(2-chlorophenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913869
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
CID 112896317
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112922320
5-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-methylphenyl)-1,2,4-triazin-3-amine
CID 112955348
N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913857

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine (CID 112922111) is 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is WLOTTYWVOGURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-17-15-21(26-22(24-17)25-20-10-6-5-9-19(20)23)28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 3.99, 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-fluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112922111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).