5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one

C16H30N2O — CID 23552389

IUPAC5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one
SMILESCCCN1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C16H30N2O/c1-9-10-18-11-12(15(2,3)4)13(16(5,6)7)17(8)14(18)19/h9-11H2,1-8H3
InChIKeyNUEMHRGAEAZTJE-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.11
Rot. Bonds2

About 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one

5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one (PubChem CID 23552389) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one
PubChem CID23552389
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one
SMILESCCCN1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C16H30N2O/c1-9-10-18-11-12(15(2,3)4)13(16(5,6)7)17(8)14(18)19/h9-11H2,1-8H3
InChIKeyNUEMHRGAEAZTJE-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one 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

6,7-ditert-butyl-1-methyl-4-propyl-3,5-dihydro-2H-1,4-diazepine
CID 23552409
1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
CID 79942754
6,7-ditert-butyl-1,4-dimethyl-2,5-dihydro-1,4-diazepin-3-one
CID 23592071
4,5-ditert-butyl-1-propyl-3,6-dihydro-2H-pyridine
CID 23552361
1-butyl-3-methylimidazolidine-2,4-dione;ethane
CID 176672470
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
4-propylpiperazine-2,6-dione
CID 63787682
4,5-ditert-butyl-1-propylpiperazin-2-one
CID 166970143
2-butyl-4,5-ditert-butyl-1,3-dihydropyridazin-6-one
CID 20871985
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
2-imino-3-methyl-5-propyl-1,3,5-thiadiazinan-4-one
CID 170909334
5,6-ditert-butyl-3-propyl-2H-1,3-oxazin-4-one
CID 23552400

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one?
The IUPAC name of 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one (CID 23552389) is 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one.
What is the SMILES notation for 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one?
The canonical SMILES for 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one is CCCN1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O.
What is the InChIKey of 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one?
The InChIKey is NUEMHRGAEAZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-9-10-18-11-12(15(2,3)4)13(16(5,6)7)17(8)14(18)19/h9-11H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one?
5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1-methyl-3-propyl-4H-pyrimidin-2-one is sourced from PubChem (CID 23552389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).