2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol

C14H25N5O2 — CID 171358918

IUPAC2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(NCCN2CCC[C@H](CO)C2)ncn1
InChIInChI=1S/C14H25N5O2/c20-7-4-16-14-8-13(17-11-18-14)15-3-6-19-5-1-2-12(9-19)10-21/h8,11-12,20-21H,1-7,9-10H2,(H2,15,16,17,18)/t12-/m0/s1
InChIKeyOGKOLOCWDNNPLH-LBPRGKRZSA-N
MW295.39 g/mol
LogP-0.00
Rot. Bonds8

About 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol

2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol (PubChem CID 171358918) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
PubChem CID171358918
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(NCCN2CCC[C@H](CO)C2)ncn1
InChIInChI=1S/C14H25N5O2/c20-7-4-16-14-8-13(17-11-18-14)15-3-6-19-5-1-2-12(9-19)10-21/h8,11-12,20-21H,1-7,9-10H2,(H2,15,16,17,18)/t12-/m0/s1
InChIKeyOGKOLOCWDNNPLH-LBPRGKRZSA-N
XLogP-0.00
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol (CID 171358918) is 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol is OCCNc1cc(NCCN2CCC[C@H](CO)C2)ncn1.
What is the InChIKey of 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
The InChIKey is OGKOLOCWDNNPLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5O2/c20-7-4-16-14-8-13(17-11-18-14)15-3-6-19-5-1-2-12(9-19)10-21/h8,11-12,20-21H,1-7,9-10H2,(H2,15,16,17,18)/t12-/m0/s1.
What are the key properties of 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol has a molecular weight of 295.39 g/mol, XLogP of -0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 171358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).