6-hydroxy-1-propylpyrimidine-2,4-dione

C7H10N2O3 — CID 4897578

IUPAC6-hydroxy-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-3-9-6(11)4-5(10)8-7(9)12/h4,11H,2-3H2,1H3,(H,8,10,12)
InChIKeyFVIRNRYMFXUNFY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.35
Rot. Bonds2

About 6-hydroxy-1-propylpyrimidine-2,4-dione

6-hydroxy-1-propylpyrimidine-2,4-dione (PubChem CID 4897578) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-hydroxy-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-propylpyrimidine-2,4-dione
PubChem CID4897578
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name6-hydroxy-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-3-9-6(11)4-5(10)8-7(9)12/h4,11H,2-3H2,1H3,(H,8,10,12)
InChIKeyFVIRNRYMFXUNFY-UHFFFAOYSA-N
XLogP-0.35
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-propylpyrimidine-2,4-dione (CID 4897578) is 6-hydroxy-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-propylpyrimidine-2,4-dione is CCCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-propylpyrimidine-2,4-dione?
The InChIKey is FVIRNRYMFXUNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-3-9-6(11)4-5(10)8-7(9)12/h4,11H,2-3H2,1H3,(H,8,10,12).
What are the key properties of 6-hydroxy-1-propylpyrimidine-2,4-dione?
6-hydroxy-1-propylpyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 4897578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).