2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one

C8H13N3O2 — CID 150908321

IUPAC2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)c1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-8(2,3)4-5(12)10-7(9)11-6(4)13/h1-3H3,(H4,9,10,11,12,13)
InChIKeyLBLMWRBTIMRUCU-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.36
Rot. Bonds

About 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 150908321) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID150908321
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)c1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-8(2,3)4-5(12)10-7(9)11-6(4)13/h1-3H3,(H4,9,10,11,12,13)
InChIKeyLBLMWRBTIMRUCU-UHFFFAOYSA-N
XLogP0.36
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-tert-butyl-4-hydroxy-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-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one (CID 150908321) is 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one is CC(C)(C)c1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LBLMWRBTIMRUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)4-5(12)10-7(9)11-6(4)13/h1-3H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 150908321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).