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

C11H15ClN4O — CID 11572412

IUPAC(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one
SMILESCC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C(C)C
InChIInChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1
InChIKeyHZKCDOWKVNPXCW-MRVPVSSYSA-N
MW254.72 g/mol
LogP2.08
Rot. Bonds2

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

(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one (PubChem CID 11572412) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one
PubChem CID11572412
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one
SMILESCC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C(C)C
InChIInChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1
InChIKeyHZKCDOWKVNPXCW-MRVPVSSYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one (CID 11572412) is (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one is CC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C(C)C.
What is the InChIKey of (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one?
The InChIKey is HZKCDOWKVNPXCW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one?
(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one has a molecular weight of 254.72 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 11572412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).