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

C10H10ClF3N4O — CID 146194465

IUPAC(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)[C@H](CC(F)(F)F)N2C
InChIInChI=1S/C10H10ClF3N4O/c1-4-6-7(17-9(11)15-4)18(2)5(8(19)16-6)3-10(12,13)14/h5H,3H2,1-2H3,(H,16,19)/t5-/m0/s1
InChIKeyVHVZALXQBBVYFZ-YFKPBYRVSA-N
MW294.66 g/mol
LogP2.15
Rot. Bonds1

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

(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one (PubChem CID 146194465) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
PubChem CID146194465
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC Name(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)[C@H](CC(F)(F)F)N2C
InChIInChI=1S/C10H10ClF3N4O/c1-4-6-7(17-9(11)15-4)18(2)5(8(19)16-6)3-10(12,13)14/h5H,3H2,1-2H3,(H,16,19)/t5-/m0/s1
InChIKeyVHVZALXQBBVYFZ-YFKPBYRVSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one (CID 146194465) is (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one is Cc1nc(Cl)nc2c1NC(=O)[C@H](CC(F)(F)F)N2C.
What is the InChIKey of (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
The InChIKey is VHVZALXQBBVYFZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c1-4-6-7(17-9(11)15-4)18(2)5(8(19)16-6)3-10(12,13)14/h5H,3H2,1-2H3,(H,16,19)/t5-/m0/s1.
What are the key properties of (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one?
(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one has a molecular weight of 294.66 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146194465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).