2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol

C14H25N5O — CID 171359600

IUPAC2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
SMILESCN1CCCC[C@@H]1CCNc1cc(NCCO)ncn1
InChIInChI=1S/C14H25N5O/c1-19-8-3-2-4-12(19)5-6-15-13-10-14(16-7-9-20)18-11-17-13/h10-12,20H,2-9H2,1H3,(H2,15,16,17,18)/t12-/m1/s1
InChIKeyQRNCIFMRGRYCGT-GFCCVEGCSA-N
MW279.39 g/mol
LogP1.17
Rot. Bonds7

About 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol

2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol (PubChem CID 171359600) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
PubChem CID171359600
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
SMILESCN1CCCC[C@@H]1CCNc1cc(NCCO)ncn1
InChIInChI=1S/C14H25N5O/c1-19-8-3-2-4-12(19)5-6-15-13-10-14(16-7-9-20)18-11-17-13/h10-12,20H,2-9H2,1H3,(H2,15,16,17,18)/t12-/m1/s1
InChIKeyQRNCIFMRGRYCGT-GFCCVEGCSA-N
XLogP1.17
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol (CID 171359600) is 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol is CN1CCCC[C@@H]1CCNc1cc(NCCO)ncn1.
What is the InChIKey of 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
The InChIKey is QRNCIFMRGRYCGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O/c1-19-8-3-2-4-12(19)5-6-15-13-10-14(16-7-9-20)18-11-17-13/h10-12,20H,2-9H2,1H3,(H2,15,16,17,18)/t12-/m1/s1.
What are the key properties of 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol?
2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol has a molecular weight of 279.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 171359600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).