1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide

C16H28N6O — CID 134709453

IUPAC1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide
SMILESCCN(C)c1cc(NCCCN2CCC(C(N)=O)CC2)ncn1
InChIInChI=1S/C16H28N6O/c1-3-21(2)15-11-14(19-12-20-15)18-7-4-8-22-9-5-13(6-10-22)16(17)23/h11-13H,3-10H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyUBNDJZXKGHLIAE-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.93
Rot. Bonds8

About 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide

1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide (PubChem CID 134709453) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide
PubChem CID134709453
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide
SMILESCCN(C)c1cc(NCCCN2CCC(C(N)=O)CC2)ncn1
InChIInChI=1S/C16H28N6O/c1-3-21(2)15-11-14(19-12-20-15)18-7-4-8-22-9-5-13(6-10-22)16(17)23/h11-13H,3-10H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyUBNDJZXKGHLIAE-UHFFFAOYSA-N
XLogP0.93
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.93
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 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide (CID 134709453) is 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide is CCN(C)c1cc(NCCCN2CCC(C(N)=O)CC2)ncn1.
What is the InChIKey of 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide?
The InChIKey is UBNDJZXKGHLIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-3-21(2)15-11-14(19-12-20-15)18-7-4-8-22-9-5-13(6-10-22)16(17)23/h11-13H,3-10H2,1-2H3,(H2,17,23)(H,18,19,20).
What are the key properties of 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide?
1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 134709453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).