5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione

C15H22N4O4 — CID 161423675

IUPAC5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1ccc(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2.C7H10N2O2/c1-5(2)10-4-6(3)7(11)9-8(10)12;1-5(2)9-4-3-6(10)8-7(9)11/h4-5H,1-3H3,(H,9,11,12);3-5H,1-2H3,(H,8,10,11)
InChIKeyVXBMQIKHIVRXNQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.54
Rot. Bonds2

About 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione

5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 161423675) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
PubChem CID161423675
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1ccc(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2.C7H10N2O2/c1-5(2)10-4-6(3)7(11)9-8(10)12;1-5(2)9-4-3-6(10)8-7(9)11/h4-5H,1-3H3,(H,9,11,12);3-5H,1-2H3,(H,8,10,11)
InChIKeyVXBMQIKHIVRXNQ-UHFFFAOYSA-N
XLogP0.54
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 162083169
5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 175852243
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
5-chloro-1-propan-2-ylpyrimidine-2,4-dione
CID 58194995
5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione
CID 158501852
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione
CID 163432716
2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
CID 84707700
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
CID 102016797

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione (CID 161423675) is 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1ccc(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is VXBMQIKHIVRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C7H10N2O2/c1-5(2)10-4-6(3)7(11)9-8(10)12;1-5(2)9-4-3-6(10)8-7(9)11/h4-5H,1-3H3,(H,9,11,12);3-5H,1-2H3,(H,8,10,11).
What are the key properties of 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 322.37 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 161423675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).