(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide

C17H20N4OS — CID 122356561

IUPAC(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C17H20N4OS/c1-12-16(20-15(22)8-7-14-6-5-11-23-14)13(2)19-17(18-12)21-9-3-4-10-21/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,22)/b8-7+
InChIKeyDLWOCHKVSZJDPY-BQYQJAHWSA-N
MW328.44 g/mol
LogP3.41
Rot. Bonds4

About (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 122356561) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID122356561
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C17H20N4OS/c1-12-16(20-15(22)8-7-14-6-5-11-23-14)13(2)19-17(18-12)21-9-3-4-10-21/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,22)/b8-7+
InChIKeyDLWOCHKVSZJDPY-BQYQJAHWSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 171137010
(E)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 122254274
(E)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 122356950
2-pyrrolidin-1-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 6929118
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 16546991
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide (CID 122356561) is (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DLWOCHKVSZJDPY-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-12-16(20-15(22)8-7-14-6-5-11-23-14)13(2)19-17(18-12)21-9-3-4-10-21/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,22)/b8-7+.
What are the key properties of (E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 328.44 g/mol, XLogP of 3.41, 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-pyrrolidin-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 122356561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).