2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide

C20H20N6O2S — CID 58056089

IUPAC2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCCN)nc12
InChIInChI=1S/C20H20N6O2S/c1-28-16-9-14-12(4-2-6-22-14)8-15(16)25-19(27)13-11-29-17-10-24-20(26-18(13)17)23-7-3-5-21/h2,4,6,8-11H,3,5,7,21H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyVVCCLJGZQXBBAE-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.26
Rot. Bonds7

About 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide

2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056089) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056089
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCCN)nc12
InChIInChI=1S/C20H20N6O2S/c1-28-16-9-14-12(4-2-6-22-14)8-15(16)25-19(27)13-11-29-17-10-24-20(26-18(13)17)23-7-3-5-21/h2,4,6,8-11H,3,5,7,21H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyVVCCLJGZQXBBAE-UHFFFAOYSA-N
XLogP3.26
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664716
N-[7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl]thieno[3,2-b]pyridine-3-carboxamide
CID 58056138
4-[[N-(2,3-dihydroxypropyl)-C-methylcarbonimidoyl]amino]-5-ethenyl-N-(7-methoxyquinolin-6-yl)thiophene-3-carboxamide
CID 130350475
2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 130350451
N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056378
2-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(5,6-dimethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664974
N-(7-ethoxyquinolin-6-yl)acetamide
CID 174923563
2-chloro-N-(1,5-naphthyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 86689619
N-(5-acetamido-2-methoxyphenyl)quinoline-8-carboxamide
CID 17443177
2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
CID 162674736
2-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858869
2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858904

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056089) is 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCCN)nc12.
What is the InChIKey of 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is VVCCLJGZQXBBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-28-16-9-14-12(4-2-6-22-14)8-15(16)25-19(27)13-11-29-17-10-24-20(26-18(13)17)23-7-3-5-21/h2,4,6,8-11H,3,5,7,21H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 408.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).