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

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239

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).