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

C25H29N5 — CID 112890827

IUPACN-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C25H29N5/c1-28(21-23-11-6-3-7-12-23)24-14-15-26-25(27-24)30-19-17-29(18-20-30)16-8-13-22-9-4-2-5-10-22/h2-15H,16-21H2,1H3/b13-8+
InChIKeyVDPRCQALECIKHD-MDWZMJQESA-N
MW399.54 g/mol
LogP3.95
Rot. Bonds7

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

N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112890827) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID112890827
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC NameN-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCN(Cc1ccccc1)c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C25H29N5/c1-28(21-23-11-6-3-7-12-23)24-14-15-26-25(27-24)30-19-17-29(18-20-30)16-8-13-22-9-4-2-5-10-22/h2-15H,16-21H2,1H3/b13-8+
InChIKeyVDPRCQALECIKHD-MDWZMJQESA-N
XLogP3.95
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295386
2-N,2-N,4-N-trimethyl-4-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172902469
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine
CID 112923742
morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109300569
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine (CID 112890827) is N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine is CN(Cc1ccccc1)c1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is VDPRCQALECIKHD-MDWZMJQESA-N. The full InChI is InChI=1S/C25H29N5/c1-28(21-23-11-6-3-7-12-23)24-14-15-26-25(27-24)30-19-17-29(18-20-30)16-8-13-22-9-4-2-5-10-22/h2-15H,16-21H2,1H3/b13-8+.
What are the key properties of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine?
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 399.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112890827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).