2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine

C19H21N7 — CID 74231908

IUPAC2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
SMILESCCc1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ncn1
InChIInChI=1S/C19H21N7/c1-2-16-12-18(23-14-22-16)25-8-10-26(11-9-25)19-21-7-5-17(24-19)15-4-3-6-20-13-15/h3-7,12-14H,2,8-11H2,1H3
InChIKeyZQCDIKHRRPDQBF-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.22
Rot. Bonds4

About 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine

2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine (PubChem CID 74231908) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
PubChem CID74231908
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
SMILESCCc1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ncn1
InChIInChI=1S/C19H21N7/c1-2-16-12-18(23-14-22-16)25-8-10-26(11-9-25)19-21-7-5-17(24-19)15-4-3-6-20-13-15/h3-7,12-14H,2,8-11H2,1H3
InChIKeyZQCDIKHRRPDQBF-UHFFFAOYSA-N
XLogP2.22
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-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

2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 146079492
4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
CID 163356780
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163357268
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
CID 163352347
1-methylsulfonyl-4-(4-pyridin-3-ylpyrimidin-2-yl)-1,4-diazepane
CID 72893326
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
ethyl (3R)-1-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 97451731
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 163352467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine (CID 74231908) is 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine is CCc1cc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)ncn1.
What is the InChIKey of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
The InChIKey is ZQCDIKHRRPDQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-16-12-18(23-14-22-16)25-8-10-26(11-9-25)19-21-7-5-17(24-19)15-4-3-6-20-13-15/h3-7,12-14H,2,8-11H2,1H3.
What are the key properties of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine?
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine has a molecular weight of 347.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 74231908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).