3-butyl-1-ethylpyrimidine-2,4-dione

C10H16N2O2 — CID 63812534

IUPAC3-butyl-1-ethylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)ccn(CC)c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-7-12-9(13)6-8-11(4-2)10(12)14/h6,8H,3-5,7H2,1-2H3
InChIKeyUNXIRTYMGCUDNM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds4

About 3-butyl-1-ethylpyrimidine-2,4-dione

3-butyl-1-ethylpyrimidine-2,4-dione (PubChem CID 63812534) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-butyl-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-ethylpyrimidine-2,4-dione
PubChem CID63812534
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-butyl-1-ethylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)ccn(CC)c1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-7-12-9(13)6-8-11(4-2)10(12)14/h6,8H,3-5,7H2,1-2H3
InChIKeyUNXIRTYMGCUDNM-UHFFFAOYSA-N
XLogP0.83
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1-ethylpyrimidine-2,4-dione (CID 63812534) is 3-butyl-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1-ethylpyrimidine-2,4-dione is CCCCn1c(=O)ccn(CC)c1=O.
What is the InChIKey of 3-butyl-1-ethylpyrimidine-2,4-dione?
The InChIKey is UNXIRTYMGCUDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-7-12-9(13)6-8-11(4-2)10(12)14/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 3-butyl-1-ethylpyrimidine-2,4-dione?
3-butyl-1-ethylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 63812534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).