(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one

C13H15ClF2N4O — CID 86658722

IUPAC(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one
SMILESCC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C13H15ClF2N4O/c1-2-9-11(21)18-8-6-17-12(14)19-10(8)20(9)7-3-4-13(15,16)5-7/h6-7,9H,2-5H2,1H3,(H,18,21)/t7-,9-/m1/s1
InChIKeyOYHPOHHIAMRLJF-VXNVDRBHSA-N
MW316.74 g/mol
LogP2.85
Rot. Bonds2

About (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one

(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one (PubChem CID 86658722) has the molecular formula C13H15ClF2N4O and a molecular weight of 316.74 g/mol. Its IUPAC name is (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one
PubChem CID86658722
Molecular FormulaC13H15ClF2N4O
Molecular Weight316.74 g/mol
Exact Mass316.09
IUPAC Name(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one
SMILESCC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C13H15ClF2N4O/c1-2-9-11(21)18-8-6-17-12(14)19-10(8)20(9)7-3-4-13(15,16)5-7/h6-7,9H,2-5H2,1H3,(H,18,21)/t7-,9-/m1/s1
InChIKeyOYHPOHHIAMRLJF-VXNVDRBHSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one (CID 86658722) is (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one is CC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one?
The InChIKey is OYHPOHHIAMRLJF-VXNVDRBHSA-N. The full InChI is InChI=1S/C13H15ClF2N4O/c1-2-9-11(21)18-8-6-17-12(14)19-10(8)20(9)7-3-4-13(15,16)5-7/h6-7,9H,2-5H2,1H3,(H,18,21)/t7-,9-/m1/s1.
What are the key properties of (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one?
(7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one has a molecular weight of 316.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 86658722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).