5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one

C7H12N2O2 — CID 169440293

IUPAC5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one
SMILES[2H]C([2H])([2H])C([2H])([2H])OC1NC(=O)NC=C1C
InChIInChI=1S/C7H12N2O2/c1-3-11-6-5(2)4-8-7(10)9-6/h4,6H,3H2,1-2H3,(H2,8,9,10)/i1D3,3D2
InChIKeyGKQALZIOHBCLPF-WNWXXORZSA-N
MW161.22 g/mol
LogP0.57
Rot. Bonds3

About 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one

5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 169440293) has the molecular formula C7H12N2O2 and a molecular weight of 161.22 g/mol. Its IUPAC name is 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID169440293
Molecular FormulaC7H12N2O2
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one
SMILES[2H]C([2H])([2H])C([2H])([2H])OC1NC(=O)NC=C1C
InChIInChI=1S/C7H12N2O2/c1-3-11-6-5(2)4-8-7(10)9-6/h4,6H,3H2,1-2H3,(H2,8,9,10)/i1D3,3D2
InChIKeyGKQALZIOHBCLPF-WNWXXORZSA-N
XLogP0.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one (CID 169440293) is 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one is [2H]C([2H])([2H])C([2H])([2H])OC1NC(=O)NC=C1C.
What is the InChIKey of 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is GKQALZIOHBCLPF-WNWXXORZSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-11-6-5(2)4-8-7(10)9-6/h4,6H,3H2,1-2H3,(H2,8,9,10)/i1D3,3D2.
What are the key properties of 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one?
5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 161.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,1,2,2,2-pentadeuterioethoxy)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 169440293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).