3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol

C11H16N2O — CID 63205454

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol
SMILESCC(O)C(C)c1ncnc2c1CCC2
InChIInChI=1S/C11H16N2O/c1-7(8(2)14)11-9-4-3-5-10(9)12-6-13-11/h6-8,14H,3-5H2,1-2H3
InChIKeyJGXBXEBJAGCWPH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.45
Rot. Bonds2

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol (PubChem CID 63205454) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol
PubChem CID63205454
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol
SMILESCC(O)C(C)c1ncnc2c1CCC2
InChIInChI=1S/C11H16N2O/c1-7(8(2)14)11-9-4-3-5-10(9)12-6-13-11/h6-8,14H,3-5H2,1-2H3
InChIKeyJGXBXEBJAGCWPH-UHFFFAOYSA-N
XLogP1.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol (CID 63205454) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol is CC(O)C(C)c1ncnc2c1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol?
The InChIKey is JGXBXEBJAGCWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(8(2)14)11-9-4-3-5-10(9)12-6-13-11/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol has a molecular weight of 192.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-ol is sourced from PubChem (CID 63205454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).