6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine

C26H26FN7 — CID 46219448

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1
InChIInChI=1S/C26H26FN7/c1-19-17-25(32-31-19)29-24-18-26(30-23(28-24)12-7-20-5-3-2-4-6-20)34-15-13-33(14-16-34)22-10-8-21(27)9-11-22/h2-12,17-18H,13-16H2,1H3,(H2,28,29,30,31,32)/b12-7+
InChIKeyNSYYOOBYZDJACT-KPKJPENVSA-N
MW455.54 g/mol
LogP4.89
Rot. Bonds6

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine (PubChem CID 46219448) has the molecular formula C26H26FN7 and a molecular weight of 455.54 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
PubChem CID46219448
Molecular FormulaC26H26FN7
Molecular Weight455.54 g/mol
Exact Mass455.22
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1
InChIInChI=1S/C26H26FN7/c1-19-17-25(32-31-19)29-24-18-26(30-23(28-24)12-7-20-5-3-2-4-6-20)34-15-13-33(14-16-34)22-10-8-21(27)9-11-22/h2-12,17-18H,13-16H2,1H3,(H2,28,29,30,31,32)/b12-7+
InChIKeyNSYYOOBYZDJACT-KPKJPENVSA-N
XLogP4.89
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-phenylethenyl)pyrimidin-4-amine
CID 67429194
6-(4,4-dimethylpiperazin-4-ium-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 91155794
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
(2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 66576993
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-methylpyrrolidin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 89062021
N-[4-[2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]cyclopropanesulfonamide
CID 91544778
N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 58571305
2-[2-(4-fluorophenyl)ethenyl]-6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 90977357
4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
CID 91499361
4-[4-[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 58571301
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084
6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-(4-prop-2-enylphenyl)ethenyl]pyrimidin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-prop-1-enyl]pyrimidin-4-amine
CID 157423005

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine (CID 46219448) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine is Cc1cc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine?
The InChIKey is NSYYOOBYZDJACT-KPKJPENVSA-N. The full InChI is InChI=1S/C26H26FN7/c1-19-17-25(32-31-19)29-24-18-26(30-23(28-24)12-7-20-5-3-2-4-6-20)34-15-13-33(14-16-34)22-10-8-21(27)9-11-22/h2-12,17-18H,13-16H2,1H3,(H2,28,29,30,31,32)/b12-7+.
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine has a molecular weight of 455.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine is sourced from PubChem (CID 46219448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).