(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one

C21H24N6O — CID 58405292

IUPAC(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C21H24N6O/c1-5-16-20(28)25(4)17-13-23-21(24-19(17)27(16)14(2)3)26-12-11-22-18(26)15-9-7-6-8-10-15/h6-14,16H,5H2,1-4H3/t16-/m1/s1
InChIKeyGNFVJCMQLYMYRH-MRXNPFEDSA-N
MW376.46 g/mol
LogP3.30
Rot. Bonds4

About (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one

(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 58405292) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
PubChem CID58405292
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C21H24N6O/c1-5-16-20(28)25(4)17-13-23-21(24-19(17)27(16)14(2)3)26-12-11-22-18(26)15-9-7-6-8-10-15/h6-14,16H,5H2,1-4H3/t16-/m1/s1
InChIKeyGNFVJCMQLYMYRH-MRXNPFEDSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one (CID 58405292) is (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is GNFVJCMQLYMYRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O/c1-5-16-20(28)25(4)17-13-23-21(24-19(17)27(16)14(2)3)26-12-11-22-18(26)15-9-7-6-8-10-15/h6-14,16H,5H2,1-4H3/t16-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 376.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 58405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).