2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline

C21H25N7 — CID 108773538

IUPAC2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
SMILESCc1cc(N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)ncn1
InChIInChI=1S/C21H25N7/c1-16-14-19(23-15-22-16)26-10-12-28(13-11-26)21-20(27-8-4-5-9-27)24-17-6-2-3-7-18(17)25-21/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeyBGHOYUZCXUEAIW-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.66
Rot. Bonds3

About 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline

2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline (PubChem CID 108773538) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
PubChem CID108773538
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
SMILESCc1cc(N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)ncn1
InChIInChI=1S/C21H25N7/c1-16-14-19(23-15-22-16)26-10-12-28(13-11-26)21-20(27-8-4-5-9-27)24-17-6-2-3-7-18(17)25-21/h2-3,6-7,14-15H,4-5,8-13H2,1H3
InChIKeyBGHOYUZCXUEAIW-UHFFFAOYSA-N
XLogP2.66
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 146074623
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 84591972
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 163346665
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 171335437
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline (CID 108773538) is 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline is Cc1cc(N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)ncn1.
What is the InChIKey of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is BGHOYUZCXUEAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-16-14-19(23-15-22-16)26-10-12-28(13-11-26)21-20(27-8-4-5-9-27)24-17-6-2-3-7-18(17)25-21/h2-3,6-7,14-15H,4-5,8-13H2,1H3.
What are the key properties of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline?
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 375.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 108773538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).