5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione

C12H20N2O2 — CID 70861451

IUPAC5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cn(C(C)C)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)6-14-11(15)10(5)7-13(9(3)4)12(14)16/h7-9H,6H2,1-5H3
InChIKeyXEZVFJWKCQNHLG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.56
Rot. Bonds3

About 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione

5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 70861451) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID70861451
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cn(C(C)C)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)6-14-11(15)10(5)7-13(9(3)4)12(14)16/h7-9H,6H2,1-5H3
InChIKeyXEZVFJWKCQNHLG-UHFFFAOYSA-N
XLogP1.56
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione (CID 70861451) is 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione is Cc1cn(C(C)C)c(=O)n(CC(C)C)c1=O.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is XEZVFJWKCQNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)6-14-11(15)10(5)7-13(9(3)4)12(14)16/h7-9H,6H2,1-5H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione?
5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 70861451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).