(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol

C16H19N5O — CID 51590868

IUPAC(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ncc(-c3cnccn3)c(C3CC3)n2)C1
InChIInChI=1S/C16H19N5O/c22-12-2-1-7-21(10-12)16-19-8-13(14-9-17-5-6-18-14)15(20-16)11-3-4-11/h5-6,8-9,11-12,22H,1-4,7,10H2/t12-/m1/s1
InChIKeyJDAYWMDCRZVUHW-GFCCVEGCSA-N
MW297.36 g/mol
LogP1.77
Rot. Bonds3

About (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol

(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol (PubChem CID 51590868) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol
PubChem CID51590868
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ncc(-c3cnccn3)c(C3CC3)n2)C1
InChIInChI=1S/C16H19N5O/c22-12-2-1-7-21(10-12)16-19-8-13(14-9-17-5-6-18-14)15(20-16)11-3-4-11/h5-6,8-9,11-12,22H,1-4,7,10H2/t12-/m1/s1
InChIKeyJDAYWMDCRZVUHW-GFCCVEGCSA-N
XLogP1.77
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol?
The IUPAC name of (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol (CID 51590868) is (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol?
The canonical SMILES for (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol is O[C@@H]1CCCN(c2ncc(-c3cnccn3)c(C3CC3)n2)C1.
What is the InChIKey of (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol?
The InChIKey is JDAYWMDCRZVUHW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O/c22-12-2-1-7-21(10-12)16-19-8-13(14-9-17-5-6-18-14)15(20-16)11-3-4-11/h5-6,8-9,11-12,22H,1-4,7,10H2/t12-/m1/s1.
What are the key properties of (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol?
(3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol has a molecular weight of 297.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)piperidin-3-ol is sourced from PubChem (CID 51590868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).