1-pyrimidin-5-ylcyclobutan-1-ol

C8H10N2O — CID 79080481

IUPAC1-pyrimidin-5-ylcyclobutan-1-ol
SMILESOC1(c2cncnc2)CCC1
InChIInChI=1S/C8H10N2O/c11-8(2-1-3-8)7-4-9-6-10-5-7/h4-6,11H,1-3H2
InChIKeyUDBAMVRVNUQPOS-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.85
Rot. Bonds1

About 1-pyrimidin-5-ylcyclobutan-1-ol

1-pyrimidin-5-ylcyclobutan-1-ol (PubChem CID 79080481) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-pyrimidin-5-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-pyrimidin-5-ylcyclobutan-1-ol
PubChem CID79080481
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-pyrimidin-5-ylcyclobutan-1-ol
SMILESOC1(c2cncnc2)CCC1
InChIInChI=1S/C8H10N2O/c11-8(2-1-3-8)7-4-9-6-10-5-7/h4-6,11H,1-3H2
InChIKeyUDBAMVRVNUQPOS-UHFFFAOYSA-N
XLogP0.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-ylcyclobutan-1-ol?
The IUPAC name of 1-pyrimidin-5-ylcyclobutan-1-ol (CID 79080481) is 1-pyrimidin-5-ylcyclobutan-1-ol.
What is the SMILES notation for 1-pyrimidin-5-ylcyclobutan-1-ol?
The canonical SMILES for 1-pyrimidin-5-ylcyclobutan-1-ol is OC1(c2cncnc2)CCC1.
What is the InChIKey of 1-pyrimidin-5-ylcyclobutan-1-ol?
The InChIKey is UDBAMVRVNUQPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8(2-1-3-8)7-4-9-6-10-5-7/h4-6,11H,1-3H2.
What are the key properties of 1-pyrimidin-5-ylcyclobutan-1-ol?
1-pyrimidin-5-ylcyclobutan-1-ol has a molecular weight of 150.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylcyclobutan-1-ol is sourced from PubChem (CID 79080481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).