6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

C8H12N2O3 — CID 1865

IUPAC6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CCCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
InChIKeyOIEJBPVNLZZLGQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.70
Rot. Bonds3

About 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione

6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 1865) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID1865
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(CCCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
InChIKeyOIEJBPVNLZZLGQ-UHFFFAOYSA-N
XLogP-0.70
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-Dihydroxyisobutyl)thymine
CID 1855
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
(2-Hydroxyethyl)-3,6-dimethyluracil
CID 129830464
6-(2-fluoro-3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 11469738
6-(1-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 23615508
6-(3-hydroxypropyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 71194819
5-Methyl-6-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 89411807
6-Ethyl-5-(2-hydroxyethyl)pyrimidine-2,4-diol
CID 117858676

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 1865) is 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(CCCO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OIEJBPVNLZZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13).
What are the key properties of 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).