1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline

C15H17ClN4 — CID 80664840

IUPAC1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCc1cc(Cl)nc(CN2CCN(C)c3ccccc32)n1
InChIInChI=1S/C15H17ClN4/c1-11-9-14(16)18-15(17-11)10-20-8-7-19(2)12-5-3-4-6-13(12)20/h3-6,9H,7-8,10H2,1-2H3
InChIKeyAGVYMNUWVSHRCG-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.89
Rot. Bonds2

About 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline (PubChem CID 80664840) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
PubChem CID80664840
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCc1cc(Cl)nc(CN2CCN(C)c3ccccc32)n1
InChIInChI=1S/C15H17ClN4/c1-11-9-14(16)18-15(17-11)10-20-8-7-19(2)12-5-3-4-6-13(12)20/h3-6,9H,7-8,10H2,1-2H3
InChIKeyAGVYMNUWVSHRCG-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine
CID 80657017
4-chloro-3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 63778013
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 80663661
2-chloro-6-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 115958889
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]indazole
CID 80664136
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
CID 86785673
4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 131086620
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyridin-3-amine
CID 104740104
4-chloro-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80664010
2-methoxy-4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]phenol
CID 82963751
4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
CID 63777501

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline (CID 80664840) is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline is Cc1cc(Cl)nc(CN2CCN(C)c3ccccc32)n1.
What is the InChIKey of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is AGVYMNUWVSHRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11-9-14(16)18-15(17-11)10-20-8-7-19(2)12-5-3-4-6-13(12)20/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 288.78 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 80664840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).