1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol

C11H18N4O — CID 53485967

IUPAC1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-11-13-6-5-10(14-11)15-7-3-4-9(16)8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,12,13,14)
InChIKeyAOFQSHGTBQWRJM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds3

About 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol

1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 53485967) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID53485967
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H18N4O/c1-2-12-11-13-6-5-10(14-11)15-7-3-4-9(16)8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,12,13,14)
InChIKeyAOFQSHGTBQWRJM-UHFFFAOYSA-N
XLogP0.87
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol (CID 53485967) is 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol is CCNc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is AOFQSHGTBQWRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-12-11-13-6-5-10(14-11)15-7-3-4-9(16)8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,12,13,14).
What are the key properties of 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 53485967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).