N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C13H18N4O2S — CID 39084785

IUPACN-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCOCCCNC(=O)CNc1ncnc2sc(C)cc12
InChIInChI=1S/C13H18N4O2S/c1-9-6-10-12(16-8-17-13(10)20-9)15-7-11(18)14-4-3-5-19-2/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyKSHIKBVKCZASNG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.56
Rot. Bonds7

About N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39084785) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39084785
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCOCCCNC(=O)CNc1ncnc2sc(C)cc12
InChIInChI=1S/C13H18N4O2S/c1-9-6-10-12(16-8-17-13(10)20-9)15-7-11(18)14-4-3-5-19-2/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyKSHIKBVKCZASNG-UHFFFAOYSA-N
XLogP1.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
2-methyl-2-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]propanoic acid
CID 39175337
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 63618230
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39084848

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39084785) is N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is COCCCNC(=O)CNc1ncnc2sc(C)cc12.
What is the InChIKey of N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is KSHIKBVKCZASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-6-10-12(16-8-17-13(10)20-9)15-7-11(18)14-4-3-5-19-2/h6,8H,3-5,7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39084785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).