5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione

C10H16N2O2 — CID 58186477

IUPAC5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)7-6-11(4)9(14)12(5)8(7)13/h6H,1-5H3
InChIKeyAKSNQJFKHUXUHD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds

About 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione

5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 58186477) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID58186477
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)7-6-11(4)9(14)12(5)8(7)13/h6H,1-5H3
InChIKeyAKSNQJFKHUXUHD-UHFFFAOYSA-N
XLogP0.38
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 899353
1,3-Dimethyl-5-ethyluracil
CID 141656
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-3-methyl-
CID 130005195
1,3-Dimethyl-5-isopropyluracil
CID 53658421
1,3-Dimethyl-5-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 13692830
1,3-Dibutyl-5-methylpyrimidine-2,4-dione
CID 24976225
1,3-Dimethyl-5-propylpyrimidine-2,4(1H,3H)-dione
CID 71418704
1,3-Dimethyl-5-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 101809747
3-butyl-5-ethyl-1H-pyrimidine-2,4-dione
CID 18342188

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione (CID 58186477) is 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(C)(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AKSNQJFKHUXUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)7-6-11(4)9(14)12(5)8(7)13/h6H,1-5H3.
What are the key properties of 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 58186477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).