(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide

C17H17N5O2 — CID 122301225

IUPAC(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)/C=C/c3ccco3)cn2)c1C
InChIInChI=1S/C17H17N5O2/c1-11-12(2)22(13(3)20-11)17-18-9-14(10-19-17)21-16(23)7-6-15-5-4-8-24-15/h4-10H,1-3H3,(H,21,23)/b7-6+
InChIKeyCRYQXCCBLZLWHC-VOTSOKGWSA-N
MW323.36 g/mol
LogP2.83
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide (PubChem CID 122301225) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
PubChem CID122301225
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
SMILESCc1nc(C)n(-c2ncc(NC(=O)/C=C/c3ccco3)cn2)c1C
InChIInChI=1S/C17H17N5O2/c1-11-12(2)22(13(3)20-11)17-18-9-14(10-19-17)21-16(23)7-6-15-5-4-8-24-15/h4-10H,1-3H3,(H,21,23)/b7-6+
InChIKeyCRYQXCCBLZLWHC-VOTSOKGWSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-5-carboxamide
CID 122301289
(E)-N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82342504
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide
CID 121033249
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
CID 71961262
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
(E)-3-(furan-2-yl)-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122286682

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide (CID 122301225) is (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide is Cc1nc(C)n(-c2ncc(NC(=O)/C=C/c3ccco3)cn2)c1C.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide?
The InChIKey is CRYQXCCBLZLWHC-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-12(2)22(13(3)20-11)17-18-9-14(10-19-17)21-16(23)7-6-15-5-4-8-24-15/h4-10H,1-3H3,(H,21,23)/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide has a molecular weight of 323.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide is sourced from PubChem (CID 122301225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).