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

C24H23N5O3S — CID 155518643

IUPAC5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(N4CCOCC4)nc(-c4ccccc4)c3c2N)cc1
InChIInChI=1S/C24H23N5O3S/c1-31-17-9-7-16(8-10-17)26-22(30)21-19(25)18-20(15-5-3-2-4-6-15)27-24(28-23(18)33-21)29-11-13-32-14-12-29/h2-10H,11-14,25H2,1H3,(H,26,30)
InChIKeyVXHKYKKMFQYFRO-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.04
Rot. Bonds5

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

5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 155518643) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID155518643
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(N4CCOCC4)nc(-c4ccccc4)c3c2N)cc1
InChIInChI=1S/C24H23N5O3S/c1-31-17-9-7-16(8-10-17)26-22(30)21-19(25)18-20(15-5-3-2-4-6-15)27-24(28-23(18)33-21)29-11-13-32-14-12-29/h2-10H,11-14,25H2,1H3,(H,26,30)
InChIKeyVXHKYKKMFQYFRO-UHFFFAOYSA-N
XLogP4.04
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 155518643) is 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2sc3nc(N4CCOCC4)nc(-c4ccccc4)c3c2N)cc1.
What is the InChIKey of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VXHKYKKMFQYFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-31-17-9-7-16(8-10-17)26-22(30)21-19(25)18-20(15-5-3-2-4-6-15)27-24(28-23(18)33-21)29-11-13-32-14-12-29/h2-10H,11-14,25H2,1H3,(H,26,30).
What are the key properties of 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxyphenyl)-2-morpholin-4-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155518643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).