N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide

C17H20N4O2S — CID 59732373

IUPACN-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCNc1nc(-c2ccco2)c2sccc2n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)10-14(22)18-6-7-19-17-20-12-5-9-24-16(12)15(21-17)13-4-3-8-23-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyLMXYUMVTEPOUMF-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.53
Rot. Bonds7

About N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide

N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide (PubChem CID 59732373) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
PubChem CID59732373
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCNc1nc(-c2ccco2)c2sccc2n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)10-14(22)18-6-7-19-17-20-12-5-9-24-16(12)15(21-17)13-4-3-8-23-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyLMXYUMVTEPOUMF-UHFFFAOYSA-N
XLogP3.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide with MolForge

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Related Compounds

benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
CID 59732315
4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine
CID 59732402
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
CID 22674399
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
CID 121075055
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
N-[2-[(7-chloro-2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]-3-methylbutanamide
CID 42809220
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
CID 121116161
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
CID 42809222
4-chloro-2-(furan-2-yl)thieno[3,2-d]pyrimidine
CID 119089879
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide (CID 59732373) is N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCNc1nc(-c2ccco2)c2sccc2n1.
What is the InChIKey of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
The InChIKey is LMXYUMVTEPOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)10-14(22)18-6-7-19-17-20-12-5-9-24-16(12)15(21-17)13-4-3-8-23-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide has a molecular weight of 344.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 59732373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).