3-tert-butyl-4,5-dihydropyrimidin-6-one

C8H14N2O — CID 59765873

IUPAC3-tert-butyl-4,5-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=NC(=O)CC1
InChIInChI=1S/C8H14N2O/c1-8(2,3)10-5-4-7(11)9-6-10/h6H,4-5H2,1-3H3
InChIKeyQDVOYAHEIUTIRT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.05
Rot. Bonds

About 3-tert-butyl-4,5-dihydropyrimidin-6-one

3-tert-butyl-4,5-dihydropyrimidin-6-one (PubChem CID 59765873) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-tert-butyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-tert-butyl-4,5-dihydropyrimidin-6-one
PubChem CID59765873
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-tert-butyl-4,5-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=NC(=O)CC1
InChIInChI=1S/C8H14N2O/c1-8(2,3)10-5-4-7(11)9-6-10/h6H,4-5H2,1-3H3
InChIKeyQDVOYAHEIUTIRT-UHFFFAOYSA-N
XLogP1.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-tert-butyl-4,5-dihydropyrimidin-6-one (CID 59765873) is 3-tert-butyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-tert-butyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-tert-butyl-4,5-dihydropyrimidin-6-one is CC(C)(C)N1C=NC(=O)CC1.
What is the InChIKey of 3-tert-butyl-4,5-dihydropyrimidin-6-one?
The InChIKey is QDVOYAHEIUTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)10-5-4-7(11)9-6-10/h6H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-4,5-dihydropyrimidin-6-one?
3-tert-butyl-4,5-dihydropyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 59765873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).