4,5-dimethoxy-1H-pyrimidin-6-one

C6H8N2O3 — CID 103240566

IUPAC4,5-dimethoxy-1H-pyrimidin-6-one
SMILESCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C6H8N2O3/c1-10-4-5(9)7-3-8-6(4)11-2/h3H,1-2H3,(H,7,8,9)
InChIKeySIRFOUGVYSHJDA-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.21
Rot. Bonds2

About 4,5-dimethoxy-1H-pyrimidin-6-one

4,5-dimethoxy-1H-pyrimidin-6-one (PubChem CID 103240566) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4,5-dimethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethoxy-1H-pyrimidin-6-one
PubChem CID103240566
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4,5-dimethoxy-1H-pyrimidin-6-one
SMILESCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C6H8N2O3/c1-10-4-5(9)7-3-8-6(4)11-2/h3H,1-2H3,(H,7,8,9)
InChIKeySIRFOUGVYSHJDA-UHFFFAOYSA-N
XLogP-0.21
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.21
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
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
5-methoxy-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973716
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 4,5-dimethoxy-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethoxy-1H-pyrimidin-6-one (CID 103240566) is 4,5-dimethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethoxy-1H-pyrimidin-6-one is COc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4,5-dimethoxy-1H-pyrimidin-6-one?
The InChIKey is SIRFOUGVYSHJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-10-4-5(9)7-3-8-6(4)11-2/h3H,1-2H3,(H,7,8,9).
What are the key properties of 4,5-dimethoxy-1H-pyrimidin-6-one?
4,5-dimethoxy-1H-pyrimidin-6-one has a molecular weight of 156.14 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).