(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide

C19H21FN4O2 — CID 122356950

IUPAC(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C19H21FN4O2/c1-13-18(14(2)22-19(21-13)24-9-11-26-12-10-24)23-17(25)8-7-15-5-3-4-6-16(15)20/h3-8H,9-12H2,1-2H3,(H,23,25)/b8-7+
InChIKeyPQXNSBHDNGMIPJ-BQYQJAHWSA-N
MW356.40 g/mol
LogP2.72
Rot. Bonds4

About (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide

(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 122356950) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID122356950
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C19H21FN4O2/c1-13-18(14(2)22-19(21-13)24-9-11-26-12-10-24)23-17(25)8-7-15-5-3-4-6-16(15)20/h3-8H,9-12H2,1-2H3,(H,23,25)/b8-7+
InChIKeyPQXNSBHDNGMIPJ-BQYQJAHWSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 121138116
(E)-3-(2-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318884
(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122356561
(E)-3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122299224
(E)-3-(2-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
CID 46798514
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]prop-2-enamide
CID 122255066
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide (CID 122356950) is (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is PQXNSBHDNGMIPJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13-18(14(2)22-19(21-13)24-9-11-26-12-10-24)23-17(25)8-7-15-5-3-4-6-16(15)20/h3-8H,9-12H2,1-2H3,(H,23,25)/b8-7+.
What are the key properties of (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 356.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 122356950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).