3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione

C9H14N2O3 — CID 115870960

IUPAC3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione
SMILESCC(CO)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C9H14N2O3/c1-7(6-12)5-11-8(13)3-4-10(2)9(11)14/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUSDIVZOBCIYWNS-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.82
Rot. Bonds3

About 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione

3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione (PubChem CID 115870960) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione
PubChem CID115870960
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione
SMILESCC(CO)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C9H14N2O3/c1-7(6-12)5-11-8(13)3-4-10(2)9(11)14/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUSDIVZOBCIYWNS-UHFFFAOYSA-N
XLogP-0.82
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanethioamide
CID 63800675
3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
CID 63812378
2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
CID 63801196
3-(2-ethylsulfanylethyl)-1-methylpyrimidine-2,4-dione
CID 115865604
4-(3-methyl-2,6-dioxopyrimidin-1-yl)butanethioamide
CID 63800844
3-(2-azidoethyl)-1-methylpyrimidine-2,4-dione
CID 63801377
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
CID 112547602
1-chloro-3-(2-methylbutyl)pyrimidine-2,4-dione
CID 170533596
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891914
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylpyrimidine-2,4-dione
CID 104567364
3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione
CID 106440150
1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 63811354

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione (CID 115870960) is 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione is CC(CO)Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is USDIVZOBCIYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(6-12)5-11-8(13)3-4-10(2)9(11)14/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione?
3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 115870960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).