2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine

C12H21N5O — CID 94672450

IUPAC2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(N2CCC(N)CC2)n1
InChIInChI=1S/C12H21N5O/c1-18-9-6-14-11-2-5-15-12(16-11)17-7-3-10(13)4-8-17/h2,5,10H,3-4,6-9,13H2,1H3,(H,14,15,16)
InChIKeyILBNVQJTMAPSGF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.46
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine

2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 94672450) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID94672450
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(N2CCC(N)CC2)n1
InChIInChI=1S/C12H21N5O/c1-18-9-6-14-11-2-5-15-12(16-11)17-7-3-10(13)4-8-17/h2,5,10H,3-4,6-9,13H2,1H3,(H,14,15,16)
InChIKeyILBNVQJTMAPSGF-UHFFFAOYSA-N
XLogP0.46
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine (CID 94672450) is 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1ccnc(N2CCC(N)CC2)n1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is ILBNVQJTMAPSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-18-9-6-14-11-2-5-15-12(16-11)17-7-3-10(13)4-8-17/h2,5,10H,3-4,6-9,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 94672450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).