4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine

C20H21N5 — CID 175650898

IUPAC4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESC(=C/c1ccccc1)\CN1CCN(c2ncnc3cnccc23)CC1
InChIInChI=1S/C20H21N5/c1-2-5-17(6-3-1)7-4-10-24-11-13-25(14-12-24)20-18-8-9-21-15-19(18)22-16-23-20/h1-9,15-16H,10-14H2/b7-4+
InChIKeyCNNLOAPKUJXGAM-QPJJXVBHSA-N
MW331.42 g/mol
LogP2.86
Rot. Bonds4

About 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 175650898) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID175650898
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESC(=C/c1ccccc1)\CN1CCN(c2ncnc3cnccc23)CC1
InChIInChI=1S/C20H21N5/c1-2-5-17(6-3-1)7-4-10-24-11-13-25(14-12-24)20-18-8-9-21-15-19(18)22-16-23-20/h1-9,15-16H,10-14H2/b7-4+
InChIKeyCNNLOAPKUJXGAM-QPJJXVBHSA-N
XLogP2.86
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 175650898) is 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine is C(=C/c1ccccc1)\CN1CCN(c2ncnc3cnccc23)CC1.
What is the InChIKey of 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is CNNLOAPKUJXGAM-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-5-17(6-3-1)7-4-10-24-11-13-25(14-12-24)20-18-8-9-21-15-19(18)22-16-23-20/h1-9,15-16H,10-14H2/b7-4+.
What are the key properties of 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 331.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 175650898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).