4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide

C23H17N5O2S — CID 71621282

IUPAC4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc2c(Oc3ccccc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
InChIInChI=1S/C23H17N5O2S/c1-13-7-8-16-15(9-10-25-23(16)30-14-5-3-2-4-6-14)18(13)28-22(29)17-11-31-20-19(17)26-12-27-21(20)24/h2-12H,1H3,(H,28,29)(H2,24,26,27)
InChIKeyXBVJPJUCTBDXSV-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.17
Rot. Bonds4

About 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 71621282) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID71621282
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc2c(Oc3ccccc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
InChIInChI=1S/C23H17N5O2S/c1-13-7-8-16-15(9-10-25-23(16)30-14-5-3-2-4-6-14)18(13)28-22(29)17-11-31-20-19(17)26-12-27-21(20)24/h2-12H,1H3,(H,28,29)(H2,24,26,27)
InChIKeyXBVJPJUCTBDXSV-UHFFFAOYSA-N
XLogP5.17
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056356
2-(4-Fluorophenyl)-8-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyanilino)-2,7-naphthyridin-1-one
CID 71510706
4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methyl-N-piperidin-4-ylbenzamide
CID 162667588
4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-3-methyl-N-piperidin-4-ylbenzamide
CID 162667927
2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056089
N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056168
N-(7-piperidin-4-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056195
N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056228
N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056358
4-amino-N-[1-(4-methoxyanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 71602593
4-amino-N-[1-[4-(difluoromethoxy)anilino]-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 71621440
(2S)-1-N-[7-(5-methylfuran-2-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117672733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 71621282) is 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc2c(Oc3ccccc3)nccc2c1NC(=O)c1csc2c(N)ncnc12.
What is the InChIKey of 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is XBVJPJUCTBDXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-13-7-8-16-15(9-10-25-23(16)30-14-5-3-2-4-6-14)18(13)28-22(29)17-11-31-20-19(17)26-12-27-21(20)24/h2-12H,1H3,(H,28,29)(H2,24,26,27).
What are the key properties of 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71621282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).