1-(2-aminopyrimidin-4-yl)piperidin-3-ol

C9H14N4O — CID 66520509

IUPAC1-(2-aminopyrimidin-4-yl)piperidin-3-ol
SMILESNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C9H14N4O/c10-9-11-4-3-8(12-9)13-5-1-2-7(14)6-13/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12)
InChIKeyPUMDSLSEDRYTOC-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.02
Rot. Bonds1

About 1-(2-aminopyrimidin-4-yl)piperidin-3-ol

1-(2-aminopyrimidin-4-yl)piperidin-3-ol (PubChem CID 66520509) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)piperidin-3-ol
PubChem CID66520509
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(2-aminopyrimidin-4-yl)piperidin-3-ol
SMILESNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C9H14N4O/c10-9-11-4-3-8(12-9)13-5-1-2-7(14)6-13/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12)
InChIKeyPUMDSLSEDRYTOC-UHFFFAOYSA-N
XLogP0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)piperidin-3-ol (CID 66520509) is 1-(2-aminopyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)piperidin-3-ol is Nc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)piperidin-3-ol?
The InChIKey is PUMDSLSEDRYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9-11-4-3-8(12-9)13-5-1-2-7(14)6-13/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12).
What are the key properties of 1-(2-aminopyrimidin-4-yl)piperidin-3-ol?
1-(2-aminopyrimidin-4-yl)piperidin-3-ol has a molecular weight of 194.24 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 66520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).