5,6-ditert-butyl-1H-pyrimidine-2,4-dione

C12H20N2O2 — CID 20658711

IUPAC5,6-ditert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)c1[nH]c(=O)[nH]c(=O)c1C(C)(C)C
InChIInChI=1S/C12H20N2O2/c1-11(2,3)7-8(12(4,5)6)13-10(16)14-9(7)15/h1-6H3,(H2,13,14,15,16)
InChIKeySUFYWPNDSCQARY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.66
Rot. Bonds

About 5,6-ditert-butyl-1H-pyrimidine-2,4-dione

5,6-ditert-butyl-1H-pyrimidine-2,4-dione (PubChem CID 20658711) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5,6-ditert-butyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-ditert-butyl-1H-pyrimidine-2,4-dione
PubChem CID20658711
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5,6-ditert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)c1[nH]c(=O)[nH]c(=O)c1C(C)(C)C
InChIInChI=1S/C12H20N2O2/c1-11(2,3)7-8(12(4,5)6)13-10(16)14-9(7)15/h1-6H3,(H2,13,14,15,16)
InChIKeySUFYWPNDSCQARY-UHFFFAOYSA-N
XLogP1.66
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil, 5-ethyl-6-methyl-
CID 202538
Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 6-methyl-5-propyl-
CID 3025420
Urea, 1-(2-tert-butylcrotonoyl)-
CID 6447723
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-1-methyl-6-propyl-
CID 129939632
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-3-methyl-6-propyl-
CID 130005194
6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 12512057
Butylmethyl pyrimidinedione
CID 15721967
6-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 164935506
5-Tert-butyl-1,3-diethyl-6-methylpyrimidine-2,4-dione
CID 102257172
5-Propargyl-6-methyluracil
CID 154722238

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-ditert-butyl-1H-pyrimidine-2,4-dione (CID 20658711) is 5,6-ditert-butyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-ditert-butyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-ditert-butyl-1H-pyrimidine-2,4-dione is CC(C)(C)c1[nH]c(=O)[nH]c(=O)c1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1H-pyrimidine-2,4-dione?
The InChIKey is SUFYWPNDSCQARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,3)7-8(12(4,5)6)13-10(16)14-9(7)15/h1-6H3,(H2,13,14,15,16).
What are the key properties of 5,6-ditert-butyl-1H-pyrimidine-2,4-dione?
5,6-ditert-butyl-1H-pyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20658711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).