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

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).