3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione

C10H16N2O2 — CID 58567619

IUPAC3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c[nH]c(=O)n(C(C)C)c1=O
InChIInChI=1S/C10H16N2O2/c1-6(2)8-5-11-10(14)12(7(3)4)9(8)13/h5-7H,1-4H3,(H,11,14)
InChIKeyQAJZTQKXHCGOHQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.24
Rot. Bonds2

About 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione

3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 58567619) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID58567619
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c[nH]c(=O)n(C(C)C)c1=O
InChIInChI=1S/C10H16N2O2/c1-6(2)8-5-11-10(14)12(7(3)4)9(8)13/h5-7H,1-4H3,(H,11,14)
InChIKeyQAJZTQKXHCGOHQ-UHFFFAOYSA-N
XLogP1.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione (CID 58567619) is 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione is CC(C)c1c[nH]c(=O)n(C(C)C)c1=O.
What is the InChIKey of 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QAJZTQKXHCGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)8-5-11-10(14)12(7(3)4)9(8)13/h5-7H,1-4H3,(H,11,14).
What are the key properties of 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione?
3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58567619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).