3-tert-butyl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 2412606

IUPAC3-tert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)10-6(11)4-5-9-7(10)12/h4-5H,1-3H3,(H,9,12)
InChIKeyZGUABGBITGFXDC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds

About 3-tert-butyl-1H-pyrimidine-2,4-dione

3-tert-butyl-1H-pyrimidine-2,4-dione (PubChem CID 2412606) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-tert-butyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1H-pyrimidine-2,4-dione
PubChem CID2412606
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-tert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-8(2,3)10-6(11)4-5-9-7(10)12/h4-5H,1-3H3,(H,9,12)
InChIKeyZGUABGBITGFXDC-UHFFFAOYSA-N
XLogP0.29
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
Aminometradine
CID 12551
1-Ethyluracil
CID 4183135
6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 652709
1H-Pyrimidine-2,4-dione, 1-allyl-3-methyl-6-methylamino-
CID 752094
1-ethyl-3-methyl-6-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 822144
Uracil, 1-allyl-6-amino-3-ethyl-mixed with 3-allyl-6-amino-1-ethyluracil (4:1)
CID 3055395
N-butyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655044
2,4-dioxo-N-pentylpyrimidine-1-carboxamide
CID 71655045
3-Butyluracil
CID 73265
1-N-Acetyluracil
CID 319990

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1H-pyrimidine-2,4-dione (CID 2412606) is 3-tert-butyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1H-pyrimidine-2,4-dione is CC(C)(C)n1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-tert-butyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZGUABGBITGFXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)10-6(11)4-5-9-7(10)12/h4-5H,1-3H3,(H,9,12).
What are the key properties of 3-tert-butyl-1H-pyrimidine-2,4-dione?
3-tert-butyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2412606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).