(7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine

C17H17N5 — CID 129404127

IUPAC(7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine
SMILESC[C@H]1CCc2nc3nc(-c4ccccc4)nc(N)c3nc2C1
InChIInChI=1S/C17H17N5/c1-10-7-8-12-13(9-10)19-14-15(18)21-16(22-17(14)20-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,18,20,21,22)/t10-/m0/s1
InChIKeyOWYCGCZFDIXJBK-JTQLQIEISA-N
MW291.36 g/mol
LogP2.79
Rot. Bonds1

About (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine

(7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine (PubChem CID 129404127) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine.

Molecular Properties

Compound Name(7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine
PubChem CID129404127
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name(7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine
SMILESC[C@H]1CCc2nc3nc(-c4ccccc4)nc(N)c3nc2C1
InChIInChI=1S/C17H17N5/c1-10-7-8-12-13(9-10)19-14-15(18)21-16(22-17(14)20-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,18,20,21,22)/t10-/m0/s1
InChIKeyOWYCGCZFDIXJBK-JTQLQIEISA-N
XLogP2.79
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine?
The IUPAC name of (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine (CID 129404127) is (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine.
What is the SMILES notation for (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine?
The canonical SMILES for (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine is C[C@H]1CCc2nc3nc(-c4ccccc4)nc(N)c3nc2C1.
What is the InChIKey of (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine?
The InChIKey is OWYCGCZFDIXJBK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N5/c1-10-7-8-12-13(9-10)19-14-15(18)21-16(22-17(14)20-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,18,20,21,22)/t10-/m0/s1.
What are the key properties of (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine?
(7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-2-phenyl-6,7,8,9-tetrahydrobenzo[g]pteridin-4-amine is sourced from PubChem (CID 129404127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).