5-methyl-1-propylpyrimidine-2,4-dione

C8H12N2O2 — CID 10702254

IUPAC5-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-5-6(2)7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeyNIZKHFVKEVLTSD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.26
Rot. Bonds2

About 5-methyl-1-propylpyrimidine-2,4-dione

5-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 10702254) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-propylpyrimidine-2,4-dione
PubChem CID10702254
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-10-5-6(2)7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeyNIZKHFVKEVLTSD-UHFFFAOYSA-N
XLogP0.26
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-propylpyrimidine-2,4-dione (CID 10702254) is 5-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-propylpyrimidine-2,4-dione is CCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is NIZKHFVKEVLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-10-5-6(2)7(11)9-8(10)12/h5H,3-4H2,1-2H3,(H,9,11,12).
What are the key properties of 5-methyl-1-propylpyrimidine-2,4-dione?
5-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 10702254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).