1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one

C11H16N2O3 — CID 115355584

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
SMILESCCCC(=O)Cc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-4-5-8(14)6-9-12-10(15-2)7-11(13-9)16-3/h7H,4-6H2,1-3H3
InChIKeyCGJJVRSIPBNKJC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.41
Rot. Bonds6

About 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one

1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one (PubChem CID 115355584) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
PubChem CID115355584
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
SMILESCCCC(=O)Cc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-4-5-8(14)6-9-12-10(15-2)7-11(13-9)16-3/h7H,4-6H2,1-3H3
InChIKeyCGJJVRSIPBNKJC-UHFFFAOYSA-N
XLogP1.41
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-6-methylpyrimidin-2-yl)-3-sulfanylpropan-2-one
CID 58139196
tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 133060482
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
CID 11038187
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
1-(4,6-dimethoxypyrimidin-2-yl)-N-methylpentan-2-amine
CID 115355620
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
ethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methylbut-2-enoate
CID 54461614
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylnonan-4-one
CID 160694361
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)-3-oxopropanoate
CID 59864605

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one (CID 115355584) is 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one is CCCC(=O)Cc1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one?
The InChIKey is CGJJVRSIPBNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-5-8(14)6-9-12-10(15-2)7-11(13-9)16-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one?
1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one is sourced from PubChem (CID 115355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).