4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H23N5O2S — CID 26276087

IUPAC4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCNc1ncnc2sc(C(=O)NCCCc3ccncc3)c(C)c12
InChIInChI=1S/C19H23N5O2S/c1-13-15-17(21-10-11-26-2)23-12-24-19(15)27-16(13)18(25)22-7-3-4-14-5-8-20-9-6-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyYNYQMYNZPLGSIN-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.82
Rot. Bonds9

About 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26276087) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26276087
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCNc1ncnc2sc(C(=O)NCCCc3ccncc3)c(C)c12
InChIInChI=1S/C19H23N5O2S/c1-13-15-17(21-10-11-26-2)23-12-24-19(15)27-16(13)18(25)22-7-3-4-14-5-8-20-9-6-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyYNYQMYNZPLGSIN-UHFFFAOYSA-N
XLogP2.82
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26340424
5-methyl-N-(3-pyridin-4-ylpropyl)-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45198809
4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42449732
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205
5-methyl-N-(2-pyridin-4-ylethyl)-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42247445
N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26279359
methyl 3-[[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]propanoate
CID 26400112
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26352818
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
4-(ethylamino)-N-(2-methoxyethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42319443

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 26276087) is 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is COCCNc1ncnc2sc(C(=O)NCCCc3ccncc3)c(C)c12.
What is the InChIKey of 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YNYQMYNZPLGSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-15-17(21-10-11-26-2)23-12-24-19(15)27-16(13)18(25)22-7-3-4-14-5-8-20-9-6-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26276087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).