(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide

C20H21N5O2 — CID 122325645

IUPAC(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-21-20-22-14(2)13-18(25-20)23-15-6-8-16(9-7-15)24-19(26)11-10-17-5-4-12-27-17/h4-13H,3H2,1-2H3,(H,24,26)(H2,21,22,23,25)/b11-10+
InChIKeyWUZKTYJZEHAKBQ-ZHACJKMWSA-N
MW363.42 g/mol
LogP4.21
Rot. Bonds7

About (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 122325645) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID122325645
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-21-20-22-14(2)13-18(25-20)23-15-6-8-16(9-7-15)24-19(26)11-10-17-5-4-12-27-17/h4-13H,3H2,1-2H3,(H,24,26)(H2,21,22,23,25)/b11-10+
InChIKeyWUZKTYJZEHAKBQ-ZHACJKMWSA-N
XLogP4.21
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122286682
(E)-3-(furan-2-yl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 122286941
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
CID 71961262
(E)-1-[4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 44520468
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122325817
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide (CID 122325645) is (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)n1.
What is the InChIKey of (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is WUZKTYJZEHAKBQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-21-20-22-14(2)13-18(25-20)23-15-6-8-16(9-7-15)24-19(26)11-10-17-5-4-12-27-17/h4-13H,3H2,1-2H3,(H,24,26)(H2,21,22,23,25)/b11-10+.
What are the key properties of (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 122325645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).