6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine

C15H19N5 — CID 80657017

IUPAC6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(CN2CCN(C)c3ccccc32)n1
InChIInChI=1S/C15H19N5/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,(H2,16,17,18)
InChIKeyMYXLZUMEDXVVQX-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.82
Rot. Bonds2

About 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine

6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine (PubChem CID 80657017) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine
PubChem CID80657017
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(CN2CCN(C)c3ccccc32)n1
InChIInChI=1S/C15H19N5/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,(H2,16,17,18)
InChIKeyMYXLZUMEDXVVQX-UHFFFAOYSA-N
XLogP1.82
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine (CID 80657017) is 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine is Cc1cc(N)nc(CN2CCN(C)c3ccccc32)n1.
What is the InChIKey of 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is MYXLZUMEDXVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/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,(H2,16,17,18).
What are the key properties of 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine?
6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80657017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).