1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol

C14H24N4O — CID 50978918

IUPAC1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol
SMILESCCc1cnc(C)nc1NCCN1CCC(O)CC1
InChIInChI=1S/C14H24N4O/c1-3-12-10-16-11(2)17-14(12)15-6-9-18-7-4-13(19)5-8-18/h10,13,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyIZMCBXNGMNEBGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol

1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol (PubChem CID 50978918) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol
PubChem CID50978918
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol
SMILESCCc1cnc(C)nc1NCCN1CCC(O)CC1
InChIInChI=1S/C14H24N4O/c1-3-12-10-16-11(2)17-14(12)15-6-9-18-7-4-13(19)5-8-18/h10,13,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyIZMCBXNGMNEBGR-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol (CID 50978918) is 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol is CCc1cnc(C)nc1NCCN1CCC(O)CC1.
What is the InChIKey of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol?
The InChIKey is IZMCBXNGMNEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-10-16-11(2)17-14(12)15-6-9-18-7-4-13(19)5-8-18/h10,13,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol?
1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol is sourced from PubChem (CID 50978918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).