2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol

C8H16N2O — CID 11094879

IUPAC2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC(C)(C)C1=NCC(O)CN1
InChIInChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h6,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyFSEACPAVFGLIME-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.40
Rot. Bonds

About 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol

2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 11094879) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID11094879
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC(C)(C)C1=NCC(O)CN1
InChIInChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h6,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyFSEACPAVFGLIME-UHFFFAOYSA-N
XLogP0.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol (CID 11094879) is 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol is CC(C)(C)C1=NCC(O)CN1.
What is the InChIKey of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is FSEACPAVFGLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h6,11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol?
2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 156.23 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 11094879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).