(7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one

C9H11ClN4O — CID 146194369

IUPAC(7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one
SMILESCC[C@@]1(C)Nc2nc(Cl)ncc2NC1=O
InChIInChI=1S/C9H11ClN4O/c1-3-9(2)7(15)12-5-4-11-8(10)13-6(5)14-9/h4H,3H2,1-2H3,(H,12,15)(H,11,13,14)/t9-/m1/s1
InChIKeyDBAWTHAGQMCZTA-SECBINFHSA-N
MW226.67 g/mol
LogP1.66
Rot. Bonds1

About (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one

(7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one (PubChem CID 146194369) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one
PubChem CID146194369
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name(7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one
SMILESCC[C@@]1(C)Nc2nc(Cl)ncc2NC1=O
InChIInChI=1S/C9H11ClN4O/c1-3-9(2)7(15)12-5-4-11-8(10)13-6(5)14-9/h4H,3H2,1-2H3,(H,12,15)(H,11,13,14)/t9-/m1/s1
InChIKeyDBAWTHAGQMCZTA-SECBINFHSA-N
XLogP1.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one (CID 146194369) is (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one is CC[C@@]1(C)Nc2nc(Cl)ncc2NC1=O.
What is the InChIKey of (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one?
The InChIKey is DBAWTHAGQMCZTA-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-3-9(2)7(15)12-5-4-11-8(10)13-6(5)14-9/h4H,3H2,1-2H3,(H,12,15)(H,11,13,14)/t9-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one?
(7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one has a molecular weight of 226.67 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-7-methyl-5,8-dihydropteridin-6-one is sourced from PubChem (CID 146194369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).