4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

C16H22FN7 — CID 19145631

IUPAC4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESCN(C)Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1N
InChIInChI=1S/C16H22FN7/c1-22(2)21-15-14(18)16(20-11-19-15)24-9-7-23(8-10-24)13-6-4-3-5-12(13)17/h3-6,11H,7-10,18H2,1-2H3,(H,19,20,21)
InChIKeyRFDIKKNTPAGQEC-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.41
Rot. Bonds4

About 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 19145631) has the molecular formula C16H22FN7 and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID19145631
Molecular FormulaC16H22FN7
Molecular Weight331.40 g/mol
Exact Mass331.19
IUPAC Name4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESCN(C)Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1N
InChIInChI=1S/C16H22FN7/c1-22(2)21-15-14(18)16(20-11-19-15)24-9-7-23(8-10-24)13-6-4-3-5-12(13)17/h3-6,11H,7-10,18H2,1-2H3,(H,19,20,21)
InChIKeyRFDIKKNTPAGQEC-UHFFFAOYSA-N
XLogP1.41
TPSA73.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147854
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19153457
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
4-N-(2-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19145227
4,6-bis(2,2-dimethylhydrazinyl)pyrimidin-5-amine
CID 19145537
4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153689

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (CID 19145631) is 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is CN(C)Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1N.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is RFDIKKNTPAGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN7/c1-22(2)21-15-14(18)16(20-11-19-15)24-9-7-23(8-10-24)13-6-4-3-5-12(13)17/h3-6,11H,7-10,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 331.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 19145631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).