2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one

C15H12N6O — CID 135769184

IUPAC2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one
SMILESCc1nc2c(=O)[nH]c(N)nc2nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H12N6O/c1-7-11(9-6-17-10-5-3-2-4-8(9)10)19-13-12(18-7)14(22)21-15(16)20-13/h2-6,17H,1H3,(H3,16,19,20,21,22)
InChIKeyCCEVQJVQHZZLTL-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one

2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one (PubChem CID 135769184) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one
PubChem CID135769184
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one
SMILESCc1nc2c(=O)[nH]c(N)nc2nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H12N6O/c1-7-11(9-6-17-10-5-3-2-4-8(9)10)19-13-12(18-7)14(22)21-15(16)20-13/h2-6,17H,1H3,(H3,16,19,20,21,22)
InChIKeyCCEVQJVQHZZLTL-UHFFFAOYSA-N
XLogP1.75
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one?
The IUPAC name of 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one (CID 135769184) is 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one?
The canonical SMILES for 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one is Cc1nc2c(=O)[nH]c(N)nc2nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one?
The InChIKey is CCEVQJVQHZZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-7-11(9-6-17-10-5-3-2-4-8(9)10)19-13-12(18-7)14(22)21-15(16)20-13/h2-6,17H,1H3,(H3,16,19,20,21,22).
What are the key properties of 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one?
2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one has a molecular weight of 292.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one is sourced from PubChem (CID 135769184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).