4-ethoxy-5-methoxy-1H-pyrimidin-6-one

C7H10N2O3 — CID 103240575

IUPAC4-ethoxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C7H10N2O3/c1-3-12-7-5(11-2)6(10)8-4-9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyBUSPVDVNNZNQAO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.18
Rot. Bonds3

About 4-ethoxy-5-methoxy-1H-pyrimidin-6-one

4-ethoxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103240575) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID103240575
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-ethoxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C7H10N2O3/c1-3-12-7-5(11-2)6(10)8-4-9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyBUSPVDVNNZNQAO-UHFFFAOYSA-N
XLogP0.18
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
5-Methoxypyrimidin-4-ol
CID 581046
6-Hydroxy-5-methoxypyrimidin-4(3H)-one
CID 14960368
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 139596980
6-Fluoro-5-methoxy-1,4-dihydropyrimidin-4-one
CID 171035676

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-ethoxy-5-methoxy-1H-pyrimidin-6-one (CID 103240575) is 4-ethoxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethoxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethoxy-5-methoxy-1H-pyrimidin-6-one is CCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BUSPVDVNNZNQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-12-7-5(11-2)6(10)8-4-9-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 4-ethoxy-5-methoxy-1H-pyrimidin-6-one?
4-ethoxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).