N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide

C16H21N5OS — CID 143487867

IUPACN'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
SMILESCC/C=C(\C)N(C)/C=N/c1c(C=O)sc2ncnc(NCC)c12
InChIInChI=1S/C16H21N5OS/c1-5-7-11(3)21(4)10-20-14-12(8-22)23-16-13(14)15(17-6-2)18-9-19-16/h7-10H,5-6H2,1-4H3,(H,17,18,19)/b11-7+,20-10+
InChIKeyGXLSIWGNRCBRLM-NMLBHNJLSA-N
MW331.45 g/mol
LogP3.84
Rot. Bonds7

About N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide

N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide (PubChem CID 143487867) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
PubChem CID143487867
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
SMILESCC/C=C(\C)N(C)/C=N/c1c(C=O)sc2ncnc(NCC)c12
InChIInChI=1S/C16H21N5OS/c1-5-7-11(3)21(4)10-20-14-12(8-22)23-16-13(14)15(17-6-2)18-9-19-16/h7-10H,5-6H2,1-4H3,(H,17,18,19)/b11-7+,20-10+
InChIKeyGXLSIWGNRCBRLM-NMLBHNJLSA-N
XLogP3.84
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(butan-2-ylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-[(E)-but-2-en-2-yl]-N-methylmethanimidamide
CID 143487569
N'-[4-(ethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-methylmethanimidamide
CID 143160479
ethane;N'-[6-formyl-4-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-5-yl]-N-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]methanimidamide
CID 143487420
N'-[(1E)-buta-1,3-dienyl]-N-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]methanimidamide
CID 143160375
4-(ethylamino)-N-(2-methoxyethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42319443
N-ethyl-N-methyl-2-[(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetamide
CID 114203262
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]methanimidamide;ethane;dihydrochloride
CID 143159738
N,N-dimethylmethanamine;6-[[2-(ethylamino)-3,4-dioxocyclobuten-1-yl]amino]-5-hydroxypyrimidine-4-carbaldehyde;propane
CID 142180199
4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26401099
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583

Frequently Asked Questions

What is the IUPAC name of N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide (CID 143487867) is N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide is CC/C=C(\C)N(C)/C=N/c1c(C=O)sc2ncnc(NCC)c12.
What is the InChIKey of N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The InChIKey is GXLSIWGNRCBRLM-NMLBHNJLSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-5-7-11(3)21(4)10-20-14-12(8-22)23-16-13(14)15(17-6-2)18-9-19-16/h7-10H,5-6H2,1-4H3,(H,17,18,19)/b11-7+,20-10+.
What are the key properties of N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide has a molecular weight of 331.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 143487867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).