1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione

C9H14N2O3 — CID 14245095

IUPAC1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CC(C)O
InChIInChI=1S/C9H14N2O3/c1-6-4-8(13)10(3)9(14)11(6)5-7(2)12/h4,7,12H,5H2,1-3H3
InChIKeyFUHNFWZLUPCEFV-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.76
Rot. Bonds2

About 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione

1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 14245095) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
PubChem CID14245095
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CC(C)O
InChIInChI=1S/C9H14N2O3/c1-6-4-8(13)10(3)9(14)11(6)5-7(2)12/h4,7,12H,5H2,1-3H3
InChIKeyFUHNFWZLUPCEFV-UHFFFAOYSA-N
XLogP-0.76
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione (CID 14245095) is 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CC(C)O.
What is the InChIKey of 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is FUHNFWZLUPCEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-4-8(13)10(3)9(14)11(6)5-7(2)12/h4,7,12H,5H2,1-3H3.
What are the key properties of 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione?
1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 14245095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).