(3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol

C11H19N5O — CID 67833360

IUPAC(3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol
SMILESN[C@@H]1CCN(CCNc2ncccn2)C[C@H]1O
InChIInChI=1S/C11H19N5O/c12-9-2-6-16(8-10(9)17)7-5-15-11-13-3-1-4-14-11/h1,3-4,9-10,17H,2,5-8,12H2,(H,13,14,15)/t9-,10-/m1/s1
InChIKeyIKNQFLLGVUHMSW-NXEZZACHSA-N
MW237.31 g/mol
LogP-0.72
Rot. Bonds4

About (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol

(3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol (PubChem CID 67833360) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol
PubChem CID67833360
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol
SMILESN[C@@H]1CCN(CCNc2ncccn2)C[C@H]1O
InChIInChI=1S/C11H19N5O/c12-9-2-6-16(8-10(9)17)7-5-15-11-13-3-1-4-14-11/h1,3-4,9-10,17H,2,5-8,12H2,(H,13,14,15)/t9-,10-/m1/s1
InChIKeyIKNQFLLGVUHMSW-NXEZZACHSA-N
XLogP-0.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol (CID 67833360) is (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol is N[C@@H]1CCN(CCNc2ncccn2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol?
The InChIKey is IKNQFLLGVUHMSW-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N5O/c12-9-2-6-16(8-10(9)17)7-5-15-11-13-3-1-4-14-11/h1,3-4,9-10,17H,2,5-8,12H2,(H,13,14,15)/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol?
(3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol has a molecular weight of 237.31 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[2-(pyrimidin-2-ylamino)ethyl]piperidin-3-ol is sourced from PubChem (CID 67833360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).