(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one

C13H17ClN4O2 — CID 71603101

IUPAC(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCOC1
InChIInChI=1S/C13H17ClN4O2/c1-3-9-12(19)17(2)10-6-15-13(14)16-11(10)18(9)8-4-5-20-7-8/h6,8-9H,3-5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyOKEMFFYKCCKRHM-RKDXNWHRSA-N
MW296.76 g/mol
LogP1.48
Rot. Bonds2

About (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one

(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one (PubChem CID 71603101) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
PubChem CID71603101
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCOC1
InChIInChI=1S/C13H17ClN4O2/c1-3-9-12(19)17(2)10-6-15-13(14)16-11(10)18(9)8-4-5-20-7-8/h6,8-9H,3-5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyOKEMFFYKCCKRHM-RKDXNWHRSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one (CID 71603101) is (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCOC1.
What is the InChIKey of (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one?
The InChIKey is OKEMFFYKCCKRHM-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-3-9-12(19)17(2)10-6-15-13(14)16-11(10)18(9)8-4-5-20-7-8/h6,8-9H,3-5,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one?
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one has a molecular weight of 296.76 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one is sourced from PubChem (CID 71603101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).