2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one

C11H16N2O — CID 135975534

IUPAC2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-11(2,3)10-12-8(7-4-5-7)6-9(14)13-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyCDWSKHGDWJOTCG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.94
Rot. Bonds1

About 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one

2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 135975534) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one
PubChem CID135975534
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-11(2,3)10-12-8(7-4-5-7)6-9(14)13-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyCDWSKHGDWJOTCG-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one (CID 135975534) is 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one is CC(C)(C)c1nc(C2CC2)cc(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is CDWSKHGDWJOTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)10-12-8(7-4-5-7)6-9(14)13-10/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one?
2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135975534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).