6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione

C7H10N2O3 — CID 14269678

IUPAC6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyRXPAEONFCSJREE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.11
Rot. Bonds1

About 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione

6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 14269678) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID14269678
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyRXPAEONFCSJREE-UHFFFAOYSA-N
XLogP-0.11
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 14269678) is 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is RXPAEONFCSJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14269678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).