1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione

C11H16N2O3 — CID 10585230

IUPAC1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCC2(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-8-7-13(10(15)12-9(8)14)6-2-3-11(16)4-5-11/h7,16H,2-6H2,1H3,(H,12,14,15)
InChIKeyDICQBLNPEZRGIZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.15
Rot. Bonds4

About 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione

1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione (PubChem CID 10585230) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
PubChem CID10585230
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCC2(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-8-7-13(10(15)12-9(8)14)6-2-3-11(16)4-5-11/h7,16H,2-6H2,1H3,(H,12,14,15)
InChIKeyDICQBLNPEZRGIZ-UHFFFAOYSA-N
XLogP0.15
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclopentyl]phosphonic acid
CID 46231729
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736
[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]cyclohexyl]phosphonic acid
CID 46231728
1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
CID 142308782
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-[[(3S,5R)-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-3-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 102310039
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
tert-butyl 4-hydroxy-4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 155987130
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione (CID 10585230) is 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCCC2(O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DICQBLNPEZRGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-7-13(10(15)12-9(8)14)6-2-3-11(16)4-5-11/h7,16H,2-6H2,1H3,(H,12,14,15).
What are the key properties of 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione?
1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10585230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).