2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one

C10H10ClF3N4O — CID 175601716

IUPAC2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)C(C(F)C(F)F)N2C
InChIInChI=1S/C10H10ClF3N4O/c1-3-5-8(17-10(11)15-3)18(2)6(9(19)16-5)4(12)7(13)14/h4,6-7H,1-2H3,(H,16,19)
InChIKeyJDVNXPVHQUZGCN-UHFFFAOYSA-N
MW294.66 g/mol
LogP1.80
Rot. Bonds2

About 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one

2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one (PubChem CID 175601716) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
PubChem CID175601716
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC Name2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)C(C(F)C(F)F)N2C
InChIInChI=1S/C10H10ClF3N4O/c1-3-5-8(17-10(11)15-3)18(2)6(9(19)16-5)4(12)7(13)14/h4,6-7H,1-2H3,(H,16,19)
InChIKeyJDVNXPVHQUZGCN-UHFFFAOYSA-N
XLogP1.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
The IUPAC name of 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one (CID 175601716) is 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one is Cc1nc(Cl)nc2c1NC(=O)C(C(F)C(F)F)N2C.
What is the InChIKey of 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
The InChIKey is JDVNXPVHQUZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c1-3-5-8(17-10(11)15-3)18(2)6(9(19)16-5)4(12)7(13)14/h4,6-7H,1-2H3,(H,16,19).
What are the key properties of 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one has a molecular weight of 294.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 175601716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).