(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide

C15H20N4O — CID 131950450

IUPAC(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cnc(N)nc1)C1=CCCCC1
InChIInChI=1S/C15H20N4O/c1-11(13-5-3-2-4-6-13)19-14(20)8-7-12-9-17-15(16)18-10-12/h5,7-11H,2-4,6H2,1H3,(H,19,20)(H2,16,17,18)/b8-7+
InChIKeyFLGKPNDVKYLFTK-BQYQJAHWSA-N
MW272.35 g/mol
LogP2.08
Rot. Bonds4

About (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide

(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide (PubChem CID 131950450) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide
PubChem CID131950450
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cnc(N)nc1)C1=CCCCC1
InChIInChI=1S/C15H20N4O/c1-11(13-5-3-2-4-6-13)19-14(20)8-7-12-9-17-15(16)18-10-12/h5,7-11H,2-4,6H2,1H3,(H,19,20)(H2,16,17,18)/b8-7+
InChIKeyFLGKPNDVKYLFTK-BQYQJAHWSA-N
XLogP2.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
CID 164643241
3-[1-(cyclohexen-1-yl)ethylcarbamoylamino]propanoic acid
CID 131916982
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 131921982
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 74233383
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 125435082
N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91833217
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125175923
3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide
CID 50983715
(E)-N-[1-(4-aminophenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 175541774

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide (CID 131950450) is (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1cnc(N)nc1)C1=CCCCC1.
What is the InChIKey of (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide?
The InChIKey is FLGKPNDVKYLFTK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(13-5-3-2-4-6-13)19-14(20)8-7-12-9-17-15(16)18-10-12/h5,7-11H,2-4,6H2,1H3,(H,19,20)(H2,16,17,18)/b8-7+.
What are the key properties of (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide?
(E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminopyrimidin-5-yl)-N-[1-(cyclohexen-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 131950450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).