1-(6-methoxypyrimidin-4-yl)propan-2-one

C8H10N2O2 — CID 66321030

IUPAC1-(6-methoxypyrimidin-4-yl)propan-2-one
SMILESCOc1cc(CC(C)=O)ncn1
InChIInChI=1S/C8H10N2O2/c1-6(11)3-7-4-8(12-2)10-5-9-7/h4-5H,3H2,1-2H3
InChIKeyDHPNHCXJXBJMAZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.62
Rot. Bonds3

About 1-(6-methoxypyrimidin-4-yl)propan-2-one

1-(6-methoxypyrimidin-4-yl)propan-2-one (PubChem CID 66321030) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)propan-2-one
PubChem CID66321030
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(6-methoxypyrimidin-4-yl)propan-2-one
SMILESCOc1cc(CC(C)=O)ncn1
InChIInChI=1S/C8H10N2O2/c1-6(11)3-7-4-8(12-2)10-5-9-7/h4-5H,3H2,1-2H3
InChIKeyDHPNHCXJXBJMAZ-UHFFFAOYSA-N
XLogP0.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)propan-2-one (CID 66321030) is 1-(6-methoxypyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)propan-2-one is COc1cc(CC(C)=O)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)propan-2-one?
The InChIKey is DHPNHCXJXBJMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(11)3-7-4-8(12-2)10-5-9-7/h4-5H,3H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)propan-2-one?
1-(6-methoxypyrimidin-4-yl)propan-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 66321030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).