2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol

C10H17N3O — CID 164659232

IUPAC2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(N2CC3CCC3C2)NC1
InChIInChI=1S/C10H17N3O/c14-9-3-11-10(12-4-9)13-5-7-1-2-8(7)6-13/h7-9,14H,1-6H2,(H,11,12)
InChIKeyMMZKEDFUFAATON-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.35
Rot. Bonds

About 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol

2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 164659232) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID164659232
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(N2CC3CCC3C2)NC1
InChIInChI=1S/C10H17N3O/c14-9-3-11-10(12-4-9)13-5-7-1-2-8(7)6-13/h7-9,14H,1-6H2,(H,11,12)
InChIKeyMMZKEDFUFAATON-UHFFFAOYSA-N
XLogP-0.35
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol 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

2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164647883
2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 125422264
2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
CID 22242523
2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164647864
4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one
CID 164646643
2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
CID 166235530
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 104540689
(5S)-5-hydroxypiperidin-2-one
CID 10964456
1,4,8,11,14,18,23,27-octazapentacyclo[9.9.9.24,8.214,18.223,27]pentatriacontane-6,16,25-triol
CID 169229353
2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid
CID 20619181
(3aS,5S,7aR)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139014297

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 164659232) is 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol is OC1CN=C(N2CC3CCC3C2)NC1.
What is the InChIKey of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is MMZKEDFUFAATON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-9-3-11-10(12-4-9)13-5-7-1-2-8(7)6-13/h7-9,14H,1-6H2,(H,11,12).
What are the key properties of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 195.27 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 164659232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).