5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine

C20H15N7 — CID 58513154

IUPAC5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(-c2ccc3nccnc3c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H15N7/c1-12-15(5-2-13-3-7-18(21)25-11-13)19(27-20(22)26-12)14-4-6-16-17(10-14)24-9-8-23-16/h3-4,6-11H,1H3,(H2,21,25)(H2,22,26,27)
InChIKeyCNMAYNKRZYUEAL-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.35
Rot. Bonds1

About 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine

5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine (PubChem CID 58513154) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine
PubChem CID58513154
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(-c2ccc3nccnc3c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H15N7/c1-12-15(5-2-13-3-7-18(21)25-11-13)19(27-20(22)26-12)14-4-6-16-17(10-14)24-9-8-23-16/h3-4,6-11H,1H3,(H2,21,25)(H2,22,26,27)
InChIKeyCNMAYNKRZYUEAL-UHFFFAOYSA-N
XLogP2.35
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(6-amino-3-pyridinyl)ethynyl]-4-(1,3-benzodioxol-5-yl)-6-methylpyrimidin-2-amine
CID 58513218
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chlorobenzoic acid
CID 58513553
methyl 4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoate
CID 58513426
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-N,N-diethyl-2-fluorobenzamide
CID 58513217
4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 121486584
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine
CID 58513326
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-[2-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
CID 58513325
3-[2,6-diamino-5-[2-(6-amino-3-pyridinyl)ethynyl]pyrimidin-4-yl]benzonitrile
CID 58513540
5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58072968
4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine
CID 143932920
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoic acid
CID 58072596
5-[2-[6-(ethylamino)-3-pyridinyl]ethynyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 58513551

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine?
The IUPAC name of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine (CID 58513154) is 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine?
The canonical SMILES for 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine is Cc1nc(N)nc(-c2ccc3nccnc3c2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine?
The InChIKey is CNMAYNKRZYUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c1-12-15(5-2-13-3-7-18(21)25-11-13)19(27-20(22)26-12)14-4-6-16-17(10-14)24-9-8-23-16/h3-4,6-11H,1H3,(H2,21,25)(H2,22,26,27).
What are the key properties of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine?
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine has a molecular weight of 353.39 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine is sourced from PubChem (CID 58513154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).