5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine

C16H21N5 — CID 80819949

IUPAC5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCN(C)c2ccccc21
InChIInChI=1S/C16H21N5/c1-4-12-15(17-2)18-11-19-16(12)21-10-9-20(3)13-7-5-6-8-14(13)21/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyGIGILSVPONBASS-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.67
Rot. Bonds3

About 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine

5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine (PubChem CID 80819949) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine
PubChem CID80819949
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCN(C)c2ccccc21
InChIInChI=1S/C16H21N5/c1-4-12-15(17-2)18-11-19-16(12)21-10-9-20(3)13-7-5-6-8-14(13)21/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyGIGILSVPONBASS-UHFFFAOYSA-N
XLogP2.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine (CID 80819949) is 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine is CCc1c(NC)ncnc1N1CCN(C)c2ccccc21.
What is the InChIKey of 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine?
The InChIKey is GIGILSVPONBASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-12-15(17-2)18-11-19-16(12)21-10-9-20(3)13-7-5-6-8-14(13)21/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine?
5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80819949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).