1-cyclopropyl-1-pyrimidin-5-ylethanol

C9H12N2O — CID 62492242

IUPAC1-cyclopropyl-1-pyrimidin-5-ylethanol
SMILESCC(O)(c1cncnc1)C1CC1
InChIInChI=1S/C9H12N2O/c1-9(12,7-2-3-7)8-4-10-6-11-5-8/h4-7,12H,2-3H2,1H3
InChIKeyGLBMBRMDGUQBJR-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.09
Rot. Bonds2

About 1-cyclopropyl-1-pyrimidin-5-ylethanol

1-cyclopropyl-1-pyrimidin-5-ylethanol (PubChem CID 62492242) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyclopropyl-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-pyrimidin-5-ylethanol
PubChem CID62492242
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-cyclopropyl-1-pyrimidin-5-ylethanol
SMILESCC(O)(c1cncnc1)C1CC1
InChIInChI=1S/C9H12N2O/c1-9(12,7-2-3-7)8-4-10-6-11-5-8/h4-7,12H,2-3H2,1H3
InChIKeyGLBMBRMDGUQBJR-UHFFFAOYSA-N
XLogP1.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-pyrimidin-5-ylethanol?
The IUPAC name of 1-cyclopropyl-1-pyrimidin-5-ylethanol (CID 62492242) is 1-cyclopropyl-1-pyrimidin-5-ylethanol.
What is the SMILES notation for 1-cyclopropyl-1-pyrimidin-5-ylethanol?
The canonical SMILES for 1-cyclopropyl-1-pyrimidin-5-ylethanol is CC(O)(c1cncnc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-pyrimidin-5-ylethanol?
The InChIKey is GLBMBRMDGUQBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(12,7-2-3-7)8-4-10-6-11-5-8/h4-7,12H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-1-pyrimidin-5-ylethanol?
1-cyclopropyl-1-pyrimidin-5-ylethanol has a molecular weight of 164.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 62492242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).