5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C22H20N4O2S — CID 139934875

IUPAC5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc(OC)c3)c2c1N
InChIInChI=1S/C22H20N4O2S/c1-3-24-21(27)19-17(23)16-18(14-10-7-11-15(12-14)28-2)25-20(26-22(16)29-19)13-8-5-4-6-9-13/h4-12H,3,23H2,1-2H3,(H,24,27)
InChIKeyQWTQVOLASKIVBZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.37
Rot. Bonds5

About 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 139934875) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID139934875
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc(OC)c3)c2c1N
InChIInChI=1S/C22H20N4O2S/c1-3-24-21(27)19-17(23)16-18(14-10-7-11-15(12-14)28-2)25-20(26-22(16)29-19)13-8-5-4-6-9-13/h4-12H,3,23H2,1-2H3,(H,24,27)
InChIKeyQWTQVOLASKIVBZ-UHFFFAOYSA-N
XLogP4.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22597648
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
ethyl 5-amino-4-(3-aminophenyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 69284092
5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-N-tert-butyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 69284125
3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743028
5-amino-N-methyl-2-(methylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738165
5-amino-N-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934869
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 121479838
3-amino-N-[(4-chlorophenyl)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003890

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 139934875) is 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc(OC)c3)c2c1N.
What is the InChIKey of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QWTQVOLASKIVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-3-24-21(27)19-17(23)16-18(14-10-7-11-15(12-14)28-2)25-20(26-22(16)29-19)13-8-5-4-6-9-13/h4-12H,3,23H2,1-2H3,(H,24,27).
What are the key properties of 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 139934875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).