N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide

C28H22N8O4S2 — CID 137213633

IUPACN-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccnc(-c3nc(=O)c4c(C)c(C(=O)N(C)C)sc4[nH]3)c2)sc2[nH]c(-c3ccccn3)nc(=O)c12
InChIInChI=1S/C28H22N8O4S2/c1-12-17-23(37)32-21(15-7-5-6-9-29-15)34-26(17)41-19(12)25(39)31-14-8-10-30-16(11-14)22-33-24(38)18-13(2)20(28(40)36(3)4)42-27(18)35-22/h5-11H,1-4H3,(H,30,31,39)(H,32,34,37)(H,33,35,38)
InChIKeyLDQVUGIZQLSHJZ-UHFFFAOYSA-N
MW598.67 g/mol
LogP3.98
Rot. Bonds5

About N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide

N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 137213633) has the molecular formula C28H22N8O4S2 and a molecular weight of 598.67 g/mol. Its IUPAC name is N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID137213633
Molecular FormulaC28H22N8O4S2
Molecular Weight598.67 g/mol
Exact Mass598.12
IUPAC NameN-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccnc(-c3nc(=O)c4c(C)c(C(=O)N(C)C)sc4[nH]3)c2)sc2[nH]c(-c3ccccn3)nc(=O)c12
InChIInChI=1S/C28H22N8O4S2/c1-12-17-23(37)32-21(15-7-5-6-9-29-15)34-26(17)41-19(12)25(39)31-14-8-10-30-16(11-14)22-33-24(38)18-13(2)20(28(40)36(3)4)42-27(18)35-22/h5-11H,1-4H3,(H,30,31,39)(H,32,34,37)(H,33,35,38)
InChIKeyLDQVUGIZQLSHJZ-UHFFFAOYSA-N
XLogP3.98
TPSA166.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.67
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 137213633) is N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccnc(-c3nc(=O)c4c(C)c(C(=O)N(C)C)sc4[nH]3)c2)sc2[nH]c(-c3ccccn3)nc(=O)c12.
What is the InChIKey of N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LDQVUGIZQLSHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N8O4S2/c1-12-17-23(37)32-21(15-7-5-6-9-29-15)34-26(17)41-19(12)25(39)31-14-8-10-30-16(11-14)22-33-24(38)18-13(2)20(28(40)36(3)4)42-27(18)35-22/h5-11H,1-4H3,(H,30,31,39)(H,32,34,37)(H,33,35,38).
What are the key properties of N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 598.67 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(dimethylcarbamoyl)-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-5-methyl-4-oxo-2-pyridin-2-yl-1H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137213633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).