5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine

C21H25N5O — CID 58513326

IUPAC5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(C2=CC(C)(C)OC(C)(C)C2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C21H25N5O/c1-13-16(8-6-14-7-9-17(22)24-12-14)18(26-19(23)25-13)15-10-20(2,3)27-21(4,5)11-15/h7,9-10,12H,11H2,1-5H3,(H2,22,24)(H2,23,25,26)
InChIKeyREQXWBHJEGCRBE-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.11
Rot. Bonds1

About 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine

5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine (PubChem CID 58513326) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine
PubChem CID58513326
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(C2=CC(C)(C)OC(C)(C)C2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C21H25N5O/c1-13-16(8-6-14-7-9-17(22)24-12-14)18(26-19(23)25-13)15-10-20(2,3)27-21(4,5)11-15/h7,9-10,12H,11H2,1-5H3,(H2,22,24)(H2,23,25,26)
InChIKeyREQXWBHJEGCRBE-UHFFFAOYSA-N
XLogP3.11
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine
CID 58513154
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]-2-chlorobenzoic acid
CID 58513553
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-[2-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
CID 58513325
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(4-methylsulfanylpiperazin-1-yl)pyrimidin-2-amine
CID 91424311
5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58072968
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-N,N-diethyl-2-fluorobenzamide
CID 58513217
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoic acid
CID 58072596
1-[4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 58513117
4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 121486587
4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine
CID 143932920

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine (CID 58513326) is 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine is Cc1nc(N)nc(C2=CC(C)(C)OC(C)(C)C2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine?
The InChIKey is REQXWBHJEGCRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-16(8-6-14-7-9-17(22)24-12-14)18(26-19(23)25-13)15-10-20(2,3)27-21(4,5)11-15/h7,9-10,12H,11H2,1-5H3,(H2,22,24)(H2,23,25,26).
What are the key properties of 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine?
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 58513326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).