acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C32H48N8O3S — CID 143572247

IUPACacetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESC/C(=C\C=C/c1ccn[nH]1)c1nc(N2CCOCC2)c2sc(C)cc2n1.CC=O.CN(C)CC(=O)NC1CC1.CNC1CC1
InChIInChI=1S/C19H21N5OS.C7H14N2O.C4H9N.C2H4O/c1-13(4-3-5-15-6-7-20-23-15)18-21-16-12-14(2)26-17(16)19(22-18)24-8-10-25-11-9-24;1-9(2)5-7(10)8-6-3-4-6;1-5-4-2-3-4;1-2-3/h3-7,12H,8-11H2,1-2H3,(H,20,23);6H,3-5H2,1-2H3,(H,8,10);4-5H,2-3H2,1H3;2H,1H3/b5-3-,13-4+;;;
InChIKeyGFUFLMOBCLMYOP-VMLLMFFHSA-N
MW624.86 g/mol
LogP4.08
Rot. Bonds8

About acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine

acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 143572247) has the molecular formula C32H48N8O3S and a molecular weight of 624.86 g/mol. Its IUPAC name is acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Nameacetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID143572247
Molecular FormulaC32H48N8O3S
Molecular Weight624.86 g/mol
Exact Mass624.36
IUPAC Nameacetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESC/C(=C\C=C/c1ccn[nH]1)c1nc(N2CCOCC2)c2sc(C)cc2n1.CC=O.CN(C)CC(=O)NC1CC1.CNC1CC1
InChIInChI=1S/C19H21N5OS.C7H14N2O.C4H9N.C2H4O/c1-13(4-3-5-15-6-7-20-23-15)18-21-16-12-14(2)26-17(16)19(22-18)24-8-10-25-11-9-24;1-9(2)5-7(10)8-6-3-4-6;1-5-4-2-3-4;1-2-3/h3-7,12H,8-11H2,1-2H3,(H,20,23);6H,3-5H2,1-2H3,(H,8,10);4-5H,2-3H2,1H3;2H,1H3/b5-3-,13-4+;;;
InChIKeyGFUFLMOBCLMYOP-VMLLMFFHSA-N
XLogP4.08
TPSA128.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.86
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 143572247) is acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine is C/C(=C\C=C/c1ccn[nH]1)c1nc(N2CCOCC2)c2sc(C)cc2n1.CC=O.CN(C)CC(=O)NC1CC1.CNC1CC1.
What is the InChIKey of acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is GFUFLMOBCLMYOP-VMLLMFFHSA-N. The full InChI is InChI=1S/C19H21N5OS.C7H14N2O.C4H9N.C2H4O/c1-13(4-3-5-15-6-7-20-23-15)18-21-16-12-14(2)26-17(16)19(22-18)24-8-10-25-11-9-24;1-9(2)5-7(10)8-6-3-4-6;1-5-4-2-3-4;1-2-3/h3-7,12H,8-11H2,1-2H3,(H,20,23);6H,3-5H2,1-2H3,(H,8,10);4-5H,2-3H2,1H3;2H,1H3/b5-3-,13-4+;;;.
What are the key properties of acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 624.86 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-cyclopropyl-2-(dimethylamino)acetamide;N-methylcyclopropanamine;4-[6-methyl-2-[(2E,4Z)-5-(1H-pyrazol-5-yl)penta-2,4-dien-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143572247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).