2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one

C9H9N3O — CID 175791444

IUPAC2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILES[2H]C([2H])([2H])c1nc(C)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H,1-2H3,(H,10,11,12,13)/i1D3
InChIKeyHCPWFBPLGLXDIU-FIBGUPNXSA-N
MW178.21 g/mol
LogP0.93
Rot. Bonds1

About 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one

2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175791444) has the molecular formula C9H9N3O and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID175791444
Molecular FormulaC9H9N3O
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILES[2H]C([2H])([2H])c1nc(C)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H,1-2H3,(H,10,11,12,13)/i1D3
InChIKeyHCPWFBPLGLXDIU-FIBGUPNXSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 175791444) is 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one is [2H]C([2H])([2H])c1nc(C)nc2[nH]c(=O)ccc12.
What is the InChIKey of 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HCPWFBPLGLXDIU-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H,1-2H3,(H,10,11,12,13)/i1D3.
What are the key properties of 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 178.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175791444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).