3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid

C14H19N3O3 — CID 163798964

IUPAC3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid
SMILESCC1=C(C)C(C)CC(c2nc(N)c(C(=O)O)nc2C)O1
InChIInChI=1S/C14H19N3O3/c1-6-5-10(20-9(4)7(6)2)11-8(3)16-12(14(18)19)13(15)17-11/h6,10H,5H2,1-4H3,(H2,15,17)(H,18,19)
InChIKeyNDHOGRFNBCDDMH-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds2

About 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid

3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid (PubChem CID 163798964) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid
PubChem CID163798964
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid
SMILESCC1=C(C)C(C)CC(c2nc(N)c(C(=O)O)nc2C)O1
InChIInChI=1S/C14H19N3O3/c1-6-5-10(20-9(4)7(6)2)11-8(3)16-12(14(18)19)13(15)17-11/h6,10H,5H2,1-4H3,(H2,15,17)(H,18,19)
InChIKeyNDHOGRFNBCDDMH-UHFFFAOYSA-N
XLogP2.46
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid (CID 163798964) is 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid is CC1=C(C)C(C)CC(c2nc(N)c(C(=O)O)nc2C)O1.
What is the InChIKey of 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is NDHOGRFNBCDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-6-5-10(20-9(4)7(6)2)11-8(3)16-12(14(18)19)13(15)17-11/h6,10H,5H2,1-4H3,(H2,15,17)(H,18,19).
What are the key properties of 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid?
3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(4,5,6-trimethyl-3,4-dihydro-2H-pyran-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 163798964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).