[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium

C16H27N4O+ — CID 123635147

IUPAC[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
SMILESC[N+](C)(C)c1cc(NC2CCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C16H27N4O/c1-20(2,3)14-11-15(17-13-5-4-6-13)18-16(12-14)19-7-9-21-10-8-19/h11-13H,4-10H2,1-3H3,(H,17,18)/q+1
InChIKeyDDWJJGVEYOHBRL-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.08
Rot. Bonds4

About [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium

[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium (PubChem CID 123635147) has the molecular formula C16H27N4O+ and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium.

Molecular Properties

Compound Name[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
PubChem CID123635147
Molecular FormulaC16H27N4O+
Molecular Weight291.42 g/mol
Exact Mass291.22
IUPAC Name[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
SMILESC[N+](C)(C)c1cc(NC2CCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C16H27N4O/c1-20(2,3)14-11-15(17-13-5-4-6-13)18-16(12-14)19-7-9-21-10-8-19/h11-13H,4-10H2,1-3H3,(H,17,18)/q+1
InChIKeyDDWJJGVEYOHBRL-UHFFFAOYSA-N
XLogP2.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
N-cyclobutyl-4-methyl-6-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 118549406
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
CID 95144373
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
CID 139300257
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine
CID 165113093
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
CID 159954649
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626

Frequently Asked Questions

What is the IUPAC name of [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium?
The IUPAC name of [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium (CID 123635147) is [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium.
What is the SMILES notation for [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium?
The canonical SMILES for [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium is C[N+](C)(C)c1cc(NC2CCC2)nc(N2CCOCC2)c1.
What is the InChIKey of [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium?
The InChIKey is DDWJJGVEYOHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N4O/c1-20(2,3)14-11-15(17-13-5-4-6-13)18-16(12-14)19-7-9-21-10-8-19/h11-13H,4-10H2,1-3H3,(H,17,18)/q+1.
What are the key properties of [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium?
[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium has a molecular weight of 291.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium is sourced from PubChem (CID 123635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).