4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C18H21N5O2S — CID 159200677

IUPAC4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N)c12
InChIInChI=1S/C18H21N5O2S/c1-23(9-5-6-10-25-2)18(24)12-11-26-17-14(12)15(19)21-16(22-17)13-7-3-4-8-20-13/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,19,21,22)
InChIKeyAXRYYYIITRTQEN-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.83
Rot. Bonds7

About 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 159200677) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID159200677
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N)c12
InChIInChI=1S/C18H21N5O2S/c1-23(9-5-6-10-25-2)18(24)12-11-26-17-14(12)15(19)21-16(22-17)13-7-3-4-8-20-13/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,19,21,22)
InChIKeyAXRYYYIITRTQEN-UHFFFAOYSA-N
XLogP2.83
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159200675
N-(4-methoxybutyl)-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429708
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 142506400
6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one
CID 159327659
N-[2-(5-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429663
ethane;methyl 4-chloro-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
CID 142506663
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
N-methyl-N-[2-[3-(methyliminomethyl)phenyl]ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 146395976
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159928780
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
CID 138020987
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 159200677) is 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N)c12.
What is the InChIKey of 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AXRYYYIITRTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-23(9-5-6-10-25-2)18(24)12-11-26-17-14(12)15(19)21-16(22-17)13-7-3-4-8-20-13/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 159200677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).