7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one

C10H12F2N4O — CID 175954124

IUPAC7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCc1ncnc2c1NC(=O)C(CC(F)F)N2C
InChIInChI=1S/C10H12F2N4O/c1-5-8-9(14-4-13-5)16(2)6(3-7(11)12)10(17)15-8/h4,6-7H,3H2,1-2H3,(H,15,17)
InChIKeyIPXDADMQTGXAOR-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.20
Rot. Bonds2

About 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one

7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 175954124) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one
PubChem CID175954124
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCc1ncnc2c1NC(=O)C(CC(F)F)N2C
InChIInChI=1S/C10H12F2N4O/c1-5-8-9(14-4-13-5)16(2)6(3-7(11)12)10(17)15-8/h4,6-7H,3H2,1-2H3,(H,15,17)
InChIKeyIPXDADMQTGXAOR-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one (CID 175954124) is 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one is Cc1ncnc2c1NC(=O)C(CC(F)F)N2C.
What is the InChIKey of 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one?
The InChIKey is IPXDADMQTGXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c1-5-8-9(14-4-13-5)16(2)6(3-7(11)12)10(17)15-8/h4,6-7H,3H2,1-2H3,(H,15,17).
What are the key properties of 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one?
7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 242.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 175954124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).