N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine

C25H29N5 — CID 112859315

IUPACN-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCC(Nc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ncn1)c1ccccc1
InChIInChI=1S/C25H29N5/c1-21(23-12-6-3-7-13-23)28-24-19-25(27-20-26-24)30-17-15-29(16-18-30)14-8-11-22-9-4-2-5-10-22/h2-13,19-21H,14-18H2,1H3,(H,26,27,28)/b11-8+
InChIKeyJPDMNEOTVIQOAG-DHZHZOJOSA-N
MW399.54 g/mol
LogP4.49
Rot. Bonds7

About N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine

N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112859315) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID112859315
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC NameN-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCC(Nc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ncn1)c1ccccc1
InChIInChI=1S/C25H29N5/c1-21(23-12-6-3-7-13-23)28-24-19-25(27-20-26-24)30-17-15-29(16-18-30)14-8-11-22-9-4-2-5-10-22/h2-13,19-21H,14-18H2,1H3,(H,26,27,28)/b11-8+
InChIKeyJPDMNEOTVIQOAG-DHZHZOJOSA-N
XLogP4.49
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
N-[(4-methylphenyl)methyl]-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859187
2-methyl-N-(3-methylbutyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112875456
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109338701
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109353048
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine (CID 112859315) is N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine is CC(Nc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ncn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is JPDMNEOTVIQOAG-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H29N5/c1-21(23-12-6-3-7-13-23)28-24-19-25(27-20-26-24)30-17-15-29(16-18-30)14-8-11-22-9-4-2-5-10-22/h2-13,19-21H,14-18H2,1H3,(H,26,27,28)/b11-8+.
What are the key properties of N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 399.54 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112859315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).