3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione

C9H14N2O2 — CID 91980094

IUPAC3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione
SMILESCC1=NC(=O)N(C(C)(C)C)C(=O)C1
InChIInChI=1S/C9H14N2O2/c1-6-5-7(12)11(8(13)10-6)9(2,3)4/h5H2,1-4H3
InChIKeyKUQBTPCRPPXHNK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.60
Rot. Bonds

About 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione

3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione (PubChem CID 91980094) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione
PubChem CID91980094
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione
SMILESCC1=NC(=O)N(C(C)(C)C)C(=O)C1
InChIInChI=1S/C9H14N2O2/c1-6-5-7(12)11(8(13)10-6)9(2,3)4/h5H2,1-4H3
InChIKeyKUQBTPCRPPXHNK-UHFFFAOYSA-N
XLogP1.60
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,5-tritert-butyl-3H-pyrrol-2-one
CID 167679712
1-tert-butyl-3,6-dihydroazepine-2,7-dione
CID 139404910
3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 78208161
5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 90445551
4-amino-7-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163792033
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871
1-tert-butyl-4-ethylpiperazine-2,6-dione
CID 59551373
1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
CID 59551071
(2R)-2-amino-2-(2,4-dioxoazetidin-1-yl)propanoic acid
CID 18601096
benzene;3-tert-butylimidazolidine-2,4-dione
CID 70509532
1-[2-(2,5-dioxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2,5-dione
CID 58388473
1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one
CID 105475882

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione (CID 91980094) is 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione is CC1=NC(=O)N(C(C)(C)C)C(=O)C1.
What is the InChIKey of 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione?
The InChIKey is KUQBTPCRPPXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-5-7(12)11(8(13)10-6)9(2,3)4/h5H2,1-4H3.
What are the key properties of 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione?
3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 91980094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).