[1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

C13H22N4O2 — CID 50979272

IUPAC[1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESCOc1cc(NCCN2CCCCC2CO)ncn1
InChIInChI=1S/C13H22N4O2/c1-19-13-8-12(15-10-16-13)14-5-7-17-6-3-2-4-11(17)9-18/h8,10-11,18H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyYZDKMYLRJFLAMQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.74
Rot. Bonds6

About [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

[1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (PubChem CID 50979272) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
PubChem CID50979272
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESCOc1cc(NCCN2CCCCC2CO)ncn1
InChIInChI=1S/C13H22N4O2/c1-19-13-8-12(15-10-16-13)14-5-7-17-6-3-2-4-11(17)9-18/h8,10-11,18H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyYZDKMYLRJFLAMQ-UHFFFAOYSA-N
XLogP0.74
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (CID 50979272) is [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is COc1cc(NCCN2CCCCC2CO)ncn1.
What is the InChIKey of [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is YZDKMYLRJFLAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-13-8-12(15-10-16-13)14-5-7-17-6-3-2-4-11(17)9-18/h8,10-11,18H,2-7,9H2,1H3,(H,14,15,16).
What are the key properties of [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
[1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 50979272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).