[1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol

C14H24N4O — CID 72889846

IUPAC[1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCc1ncnc(NCCN2CCCC(CO)C2)c1C
InChIInChI=1S/C14H24N4O/c1-11-12(2)16-10-17-14(11)15-5-7-18-6-3-4-13(8-18)9-19/h10,13,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyLKKXTIFACNRFFM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.21
Rot. Bonds5

About [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol

[1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 72889846) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID72889846
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCc1ncnc(NCCN2CCCC(CO)C2)c1C
InChIInChI=1S/C14H24N4O/c1-11-12(2)16-10-17-14(11)15-5-7-18-6-3-4-13(8-18)9-19/h10,13,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyLKKXTIFACNRFFM-UHFFFAOYSA-N
XLogP1.21
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol (CID 72889846) is [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol is Cc1ncnc(NCCN2CCCC(CO)C2)c1C.
What is the InChIKey of [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is LKKXTIFACNRFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-12(2)16-10-17-14(11)15-5-7-18-6-3-4-13(8-18)9-19/h10,13,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol?
[1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(5,6-dimethylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72889846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).