1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione

C10H14N2O5 — CID 10331953

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione
SMILESC=Cc1cn(COC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-2-7-3-12(10(16)11-9(7)15)6-17-8(4-13)5-14/h2-3,8,13-14H,1,4-6H2,(H,11,15,16)
InChIKeyYABLVCZQZKBEEI-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.49
Rot. Bonds6

About 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione

1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione (PubChem CID 10331953) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione
PubChem CID10331953
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione
SMILESC=Cc1cn(COC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-2-7-3-12(10(16)11-9(7)15)6-17-8(4-13)5-14/h2-3,8,13-14H,1,4-6H2,(H,11,15,16)
InChIKeyYABLVCZQZKBEEI-UHFFFAOYSA-N
XLogP-1.49
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-(1-azidovinyl)uracil
CID 3003709
5-[(E)-2-bromoethenyl]-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
CID 44412230
N-(2-(Hydroxyethoxy)methyl)-5-methyluracil
CID 72358
(R,S)-1-(1-(2-Hydroxyethoxy)-3-hydroxypropyl)thymine
CID 451951
1-[(1,3-Dihydroxy-2-propoxy)methyl]-5-methyluracil
CID 3010089
5-Ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 10727347
1-((2-Hydroxyethoxy)methyl)-5-vinyluracil
CID 12081662
1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione
CID 3000770
1-((2-Hydroxyethoxy)methyl)-(E)-5-(2-bromovinyl)uracil
CID 6450912
5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione
CID 6450963
1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-(hydroxymethyl)pyrimidine-2,4-dione
CID 11637356
1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-ethyl uracil
CID 16072441

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione (CID 10331953) is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione is C=Cc1cn(COC(CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione?
The InChIKey is YABLVCZQZKBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-2-7-3-12(10(16)11-9(7)15)6-17-8(4-13)5-14/h2-3,8,13-14H,1,4-6H2,(H,11,15,16).
What are the key properties of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione is sourced from PubChem (CID 10331953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).