4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine

C22H25N5O — CID 50971139

IUPAC4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESC/C(=C\c1ccco1)CN1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-17(13-20-6-4-12-28-20)16-26-8-10-27(11-9-26)21-14-18(2)24-22(25-21)19-5-3-7-23-15-19/h3-7,12-15H,8-11,16H2,1-2H3/b17-13+
InChIKeyVAOWLDHWZRQTBG-GHRIWEEISA-N
MW375.48 g/mol
LogP3.67
Rot. Bonds5

About 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine

4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine (PubChem CID 50971139) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
PubChem CID50971139
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESC/C(=C\c1ccco1)CN1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-17(13-20-6-4-12-28-20)16-26-8-10-27(11-9-26)21-14-18(2)24-22(25-21)19-5-3-7-23-15-19/h3-7,12-15H,8-11,16H2,1-2H3/b17-13+
InChIKeyVAOWLDHWZRQTBG-GHRIWEEISA-N
XLogP3.67
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 4793492
4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 142609112
5-chloro-4-N-(furan-2-ylmethyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665848
Furan-2-ylmethylene-(4-pyridin-2-yl-piperazin-1-yl)-amine
CID 5343017
N-[5-[2-(4-ethyl-6-morpholin-4-ylpyrimidin-5-yl)ethynyl]-2-methoxy-3-pyridinyl]furan-2-sulfonamide
CID 60142044
N-[2-methoxy-5-[2-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)ethynyl]pyridin-3-yl]-5-methylfuran-2-sulfonamide
CID 60142181
N-(furan-2-ylmethyl)-2-pyridin-2-ylquinazolin-4-amine
CID 661967
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3232663
2-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232916
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(furan-2-ylmethyl)-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
CID 3233699
6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234823

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine (CID 50971139) is 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine is C/C(=C\c1ccco1)CN1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The InChIKey is VAOWLDHWZRQTBG-GHRIWEEISA-N. The full InChI is InChI=1S/C22H25N5O/c1-17(13-20-6-4-12-28-20)16-26-8-10-27(11-9-26)21-14-18(2)24-22(25-21)19-5-3-7-23-15-19/h3-7,12-15H,8-11,16H2,1-2H3/b17-13+.
What are the key properties of 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine has a molecular weight of 375.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 50971139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).