6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine

C23H24FN5 — CID 112879622

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24FN5/c1-2-12-25-21-17-22(27-23(26-21)18-6-4-3-5-7-18)29-15-13-28(14-16-29)20-10-8-19(24)9-11-20/h2-11,17H,1,12-16H2,(H,25,26,27)
InChIKeyPWTNXIGLFWYEAI-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.21
Rot. Bonds6

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 112879622) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine
PubChem CID112879622
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24FN5/c1-2-12-25-21-17-22(27-23(26-21)18-6-4-3-5-7-18)29-15-13-28(14-16-29)20-10-8-19(24)9-11-20/h2-11,17H,1,12-16H2,(H,25,26,27)
InChIKeyPWTNXIGLFWYEAI-UHFFFAOYSA-N
XLogP4.21
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
CID 112879626
4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879656
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine (CID 112879622) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is PWTNXIGLFWYEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-2-12-25-21-17-22(27-23(26-21)18-6-4-3-5-7-18)29-15-13-28(14-16-29)20-10-8-19(24)9-11-20/h2-11,17H,1,12-16H2,(H,25,26,27).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 389.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 112879622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).