1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione

C13H18N4O5 — CID 123770337

IUPAC1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(CC(O)Cn2cc(C)c(=O)[nH]c2=O)C(O)NC1=O
InChIInChI=1S/C13H18N4O5/c1-7-3-16(12(21)14-10(7)19)5-9(18)6-17-4-8(2)11(20)15-13(17)22/h3-4,9,12,18,21H,5-6H2,1-2H3,(H,14,19)(H,15,20,22)
InChIKeyFJSPZPHXEASJLP-UHFFFAOYSA-N
MW310.31 g/mol
LogP-2.18
Rot. Bonds4

About 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione

1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione (PubChem CID 123770337) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione
PubChem CID123770337
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Name1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(CC(O)Cn2cc(C)c(=O)[nH]c2=O)C(O)NC1=O
InChIInChI=1S/C13H18N4O5/c1-7-3-16(12(21)14-10(7)19)5-9(18)6-17-4-8(2)11(20)15-13(17)22/h3-4,9,12,18,21H,5-6H2,1-2H3,(H,14,19)(H,15,20,22)
InChIKeyFJSPZPHXEASJLP-UHFFFAOYSA-N
XLogP-2.18
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione (CID 123770337) is 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione is CC1=CN(CC(O)Cn2cc(C)c(=O)[nH]c2=O)C(O)NC1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FJSPZPHXEASJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-7-3-16(12(21)14-10(7)19)5-9(18)6-17-4-8(2)11(20)15-13(17)22/h3-4,9,12,18,21H,5-6H2,1-2H3,(H,14,19)(H,15,20,22).
What are the key properties of 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione?
1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 310.31 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 123770337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).