1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol

C10H14N2O — CID 79436464

IUPAC1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol
SMILESOC(CCc1ncccn1)C1CC1
InChIInChI=1S/C10H14N2O/c13-9(8-2-3-8)4-5-10-11-6-1-7-12-10/h1,6-9,13H,2-5H2
InChIKeyFFINEKLGXJBXIA-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.18
Rot. Bonds4

About 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol

1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol (PubChem CID 79436464) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol
PubChem CID79436464
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol
SMILESOC(CCc1ncccn1)C1CC1
InChIInChI=1S/C10H14N2O/c13-9(8-2-3-8)4-5-10-11-6-1-7-12-10/h1,6-9,13H,2-5H2
InChIKeyFFINEKLGXJBXIA-UHFFFAOYSA-N
XLogP1.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol?
The IUPAC name of 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol (CID 79436464) is 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol is OC(CCc1ncccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol?
The InChIKey is FFINEKLGXJBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-9(8-2-3-8)4-5-10-11-6-1-7-12-10/h1,6-9,13H,2-5H2.
What are the key properties of 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol?
1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol has a molecular weight of 178.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol is sourced from PubChem (CID 79436464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).