5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one

C8H12N2O3 — CID 103240686

IUPAC5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCOc1c(OC(C)C)nc[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)13-8-6(12-3)7(11)9-4-10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeySVBAZBMQDHHBRW-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.57
Rot. Bonds3

About 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one

5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 103240686) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID103240686
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCOc1c(OC(C)C)nc[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)13-8-6(12-3)7(11)9-4-10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeySVBAZBMQDHHBRW-UHFFFAOYSA-N
XLogP0.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
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
6-Fluoro-5-methoxy-1,4-dihydropyrimidin-4-one
CID 171035676
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
CID 130718959
6-Amino-5-methoxypyrimidin-4(1H)-one
CID 136107868

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one (CID 103240686) is 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one is COc1c(OC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is SVBAZBMQDHHBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)13-8-6(12-3)7(11)9-4-10-8/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one?
5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).