2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline

C19H22N6 — CID 139027361

IUPAC2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(c2ncnc(C)c2C)CC1
InChIInChI=1S/C19H22N6/c1-13-14(2)20-12-21-18(13)24-8-10-25(11-9-24)19-15(3)22-16-6-4-5-7-17(16)23-19/h4-7,12H,8-11H2,1-3H3
InChIKeyVWJXMOXCBDPKJR-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.67
Rot. Bonds2

About 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline

2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline (PubChem CID 139027361) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
PubChem CID139027361
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(c2ncnc(C)c2C)CC1
InChIInChI=1S/C19H22N6/c1-13-14(2)20-12-21-18(13)24-8-10-25(11-9-24)19-15(3)22-16-6-4-5-7-17(16)23-19/h4-7,12H,8-11H2,1-3H3
InChIKeyVWJXMOXCBDPKJR-UHFFFAOYSA-N
XLogP2.67
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163352081
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole
CID 175814165
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
CID 82167536
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027
N-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyridin-2-amine
CID 155976483
4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 146074300
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
CID 139028592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline (CID 139027361) is 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCN(c2ncnc(C)c2C)CC1.
What is the InChIKey of 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline?
The InChIKey is VWJXMOXCBDPKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-13-14(2)20-12-21-18(13)24-8-10-25(11-9-24)19-15(3)22-16-6-4-5-7-17(16)23-19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline?
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline has a molecular weight of 334.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 139027361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).