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

C9H14N2O5 — CID 3010089

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O5/c1-6-2-11(9(15)10-8(6)14)5-16-7(3-12)4-13/h2,7,12-13H,3-5H2,1H3,(H,10,14,15)
InChIKeyBQFRWTWERQFADT-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.83
Rot. Bonds5

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

1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 3010089) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID3010089
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O5/c1-6-2-11(9(15)10-8(6)14)5-16-7(3-12)4-13/h2,7,12-13H,3-5H2,1H3,(H,10,14,15)
InChIKeyBQFRWTWERQFADT-UHFFFAOYSA-N
XLogP-1.83
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione (CID 3010089) is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(COC(CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is BQFRWTWERQFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-6-2-11(9(15)10-8(6)14)5-16-7(3-12)4-13/h2,7,12-13H,3-5H2,1H3,(H,10,14,15).
What are the key properties of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of -1.83, 5 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-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3010089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).