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

C22H20N8O — CID 71602829

IUPAC(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1cncnc1
InChIInChI=1S/C22H20N8O/c1-3-17-21(31)28(2)18-13-26-22(27-20(18)30(17)16-11-23-14-24-12-16)29-10-9-25-19(29)15-7-5-4-6-8-15/h4-14,17H,3H2,1-2H3/t17-/m1/s1
InChIKeyHKSMOPLPIGGMTK-QGZVFWFLSA-N
MW412.46 g/mol
LogP3.01
Rot. Bonds4

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

(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one (PubChem CID 71602829) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one
PubChem CID71602829
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1cncnc1
InChIInChI=1S/C22H20N8O/c1-3-17-21(31)28(2)18-13-26-22(27-20(18)30(17)16-11-23-14-24-12-16)29-10-9-25-19(29)15-7-5-4-6-8-15/h4-14,17H,3H2,1-2H3/t17-/m1/s1
InChIKeyHKSMOPLPIGGMTK-QGZVFWFLSA-N
XLogP3.01
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one (CID 71602829) is (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1cncnc1.
What is the InChIKey of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one?
The InChIKey is HKSMOPLPIGGMTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N8O/c1-3-17-21(31)28(2)18-13-26-22(27-20(18)30(17)16-11-23-14-24-12-16)29-10-9-25-19(29)15-7-5-4-6-8-15/h4-14,17H,3H2,1-2H3/t17-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one has a molecular weight of 412.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-pyrimidin-5-yl-7H-pteridin-6-one is sourced from PubChem (CID 71602829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).