(2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate

C12H19N5O2 — CID 23085945

IUPAC(2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate
SMILESNCCNOC(=O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C12H19N5O2/c13-4-6-16-19-12(18)10-2-7-17(8-3-10)11-1-5-14-9-15-11/h1,5,9-10,16H,2-4,6-8,13H2
InChIKeyNASWBHQCQPHCGA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.30
Rot. Bonds5

About (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate

(2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate (PubChem CID 23085945) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate
PubChem CID23085945
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate
SMILESNCCNOC(=O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C12H19N5O2/c13-4-6-16-19-12(18)10-2-7-17(8-3-10)11-1-5-14-9-15-11/h1,5,9-10,16H,2-4,6-8,13H2
InChIKeyNASWBHQCQPHCGA-UHFFFAOYSA-N
XLogP-0.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 67239180
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189393
1-(2-Chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 53338826
1-(Pyrimidin-2-yl)piperidine-4-carboxamide
CID 3791901
N,N-dimethyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189386
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}acetic acid
CID 90487992
1-(3-{[4-(Methylamino)pyrimidin-2-YL]amino}propyl)piperidine-4-carboxamide
CID 50979772
1-[2-(Trifluoromethyl)-4-pyrimidinyl]-4-piperidinecarboxamide
CID 19008882

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate?
The IUPAC name of (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate (CID 23085945) is (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate.
What is the SMILES notation for (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate?
The canonical SMILES for (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate is NCCNOC(=O)C1CCN(c2ccncn2)CC1.
What is the InChIKey of (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate?
The InChIKey is NASWBHQCQPHCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-4-6-16-19-12(18)10-2-7-17(8-3-10)11-1-5-14-9-15-11/h1,5,9-10,16H,2-4,6-8,13H2.
What are the key properties of (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate?
(2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate has a molecular weight of 265.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) 1-pyrimidin-4-ylpiperidine-4-carboxylate is sourced from PubChem (CID 23085945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).