4-methoxy-2-propoxy-1H-pyrimidin-6-one

C8H12N2O3 — CID 163564133

IUPAC4-methoxy-2-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-3-4-13-8-9-6(11)5-7(10-8)12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyFTTGAPQOKLXRNN-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.57
Rot. Bonds4

About 4-methoxy-2-propoxy-1H-pyrimidin-6-one

4-methoxy-2-propoxy-1H-pyrimidin-6-one (PubChem CID 163564133) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-methoxy-2-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-propoxy-1H-pyrimidin-6-one
PubChem CID163564133
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-methoxy-2-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc(OC)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-3-4-13-8-9-6(11)5-7(10-8)12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyFTTGAPQOKLXRNN-UHFFFAOYSA-N
XLogP0.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

6-Amino-2-methoxy-3,4-dihydropyrimidin-4-one
CID 135404214
2-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-Ethoxypyrimidin-4-ol
CID 3729582
6-Hydroxy-2-methoxypyrimidin-4(3H)-one
CID 13754312
2-n-Butoxy-4-hydroxypyrimidine
CID 92014425
6-Amino-2-(2-methoxyethoxy)pyrimidin-4(3h)-one
CID 136203225
2-Ethoxy-6-hydroxy-4(3H)-pyrimidinone
CID 10197799
2-fluoro-4-methoxy-1H-pyrimidin-6-one
CID 129239113
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-Amino-6-ethoxypyrimidin-4(3H)-one
CID 587657

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-propoxy-1H-pyrimidin-6-one (CID 163564133) is 4-methoxy-2-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-propoxy-1H-pyrimidin-6-one is CCCOc1nc(OC)cc(=O)[nH]1.
What is the InChIKey of 4-methoxy-2-propoxy-1H-pyrimidin-6-one?
The InChIKey is FTTGAPQOKLXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-4-13-8-9-6(11)5-7(10-8)12-2/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-methoxy-2-propoxy-1H-pyrimidin-6-one?
4-methoxy-2-propoxy-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 163564133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).