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

C8H12N2O2 — CID 136649986

IUPAC4-methyl-2-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyUISPXTLNNBUGBB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.87
Rot. Bonds3

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

4-methyl-2-propoxy-1H-pyrimidin-6-one (PubChem CID 136649986) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methyl-2-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-propoxy-1H-pyrimidin-6-one
PubChem CID136649986
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methyl-2-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyUISPXTLNNBUGBB-UHFFFAOYSA-N
XLogP0.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
6-Amino-2-(2-methoxyethoxy)pyrimidin-4(3h)-one
CID 136203225
2-Isopropoxy-6-(trifluoromethyl)pyrimidin-4-ol
CID 135442232
2-propoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711055
2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711056
ethane;2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144074754
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-Ethoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135741815
2-Methoxy-4-ethoxy-6-hydroxypyrimidine
CID 12258859
2-Ethoxy-6-methoxypyrimidin-4(1H)-one
CID 12258860
2-methoxy-4-propyl-1H-pyrimidin-6-one
CID 135788732

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-propoxy-1H-pyrimidin-6-one (CID 136649986) is 4-methyl-2-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-propoxy-1H-pyrimidin-6-one is CCCOc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-propoxy-1H-pyrimidin-6-one?
The InChIKey is UISPXTLNNBUGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-methyl-2-propoxy-1H-pyrimidin-6-one?
4-methyl-2-propoxy-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136649986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).