6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione

C8H12N2O3 — CID 28630681

IUPAC6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Cc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyQYYLHHNECWBHCD-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.03
Rot. Bonds2

About 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione

6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 28630681) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID28630681
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Cc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyQYYLHHNECWBHCD-UHFFFAOYSA-N
XLogP-0.03
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione (CID 28630681) is 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione is CC(C)Cc1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QYYLHHNECWBHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4H,3H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 28630681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).