2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one

C10H10ClF3N4O — CID 146199357

IUPAC2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)CN2[C@@H](C)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4O/c1-4-7-8(17-9(11)15-4)18(3-6(19)16-7)5(2)10(12,13)14/h5H,3H2,1-2H3,(H,16,19)/t5-/m0/s1
InChIKeyRBGVDZMSANODTJ-YFKPBYRVSA-N
MW294.66 g/mol
LogP2.15
Rot. Bonds1

About 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one

2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one (PubChem CID 146199357) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one
PubChem CID146199357
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC Name2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)CN2[C@@H](C)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4O/c1-4-7-8(17-9(11)15-4)18(3-6(19)16-7)5(2)10(12,13)14/h5H,3H2,1-2H3,(H,16,19)/t5-/m0/s1
InChIKeyRBGVDZMSANODTJ-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 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one?
The IUPAC name of 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one (CID 146199357) is 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one is Cc1nc(Cl)nc2c1NC(=O)CN2[C@@H](C)C(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one?
The InChIKey is RBGVDZMSANODTJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c1-4-7-8(17-9(11)15-4)18(3-6(19)16-7)5(2)10(12,13)14/h5H,3H2,1-2H3,(H,16,19)/t5-/m0/s1.
What are the key properties of 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one?
2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-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 2-chloro-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146199357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).