6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione

C9H14N2O4 — CID 1855

IUPAC6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
InChIKeyCLCPDSJUXHDRGX-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.49
Rot. Bonds4

About 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione

6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 1855) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID1855
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
InChIKeyCLCPDSJUXHDRGX-UHFFFAOYSA-N
XLogP-1.49
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-Hydroxypropyl)thymine
CID 1865
5-(2-Hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 269788
6-[(2r)-2-(Fluoromethyl)-3-Hydroxy-Propyl]-1,5-Dimethyl-Pyrimidine-2,4-Dione
CID 53301856
N-Methyl-6-(1,3-Dihydroxy-Isobutyl)thymine
CID 44246479
6-[2-(Fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione
CID 123864631
6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 90918201
6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 11469738
6-Ethyl-5-(2-hydroxyethyl)pyrimidine-2,4-diol
CID 117858676
CID 117858969
CID 117858969
sodium;hydride;5-(2-hydroxyethyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 173568273
6-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 9991447
6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 10330397

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 1855) is 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is CLCPDSJUXHDRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15).
What are the key properties of 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione?
6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).