4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C21H26N4O2S — CID 3494828

IUPAC4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)NCc3ccccc3OC)c(C)c12
InChIInChI=1S/C21H26N4O2S/c1-6-25(7-2)19-17-13(3)18(28-21(17)24-14(4)23-19)20(26)22-12-15-10-8-9-11-16(15)27-5/h8-11H,6-7,12H2,1-5H3,(H,22,26)
InChIKeyYDXLEWSKMIQNJI-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.09
Rot. Bonds7

About 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3494828) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3494828
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)c1nc(C)nc2sc(C(=O)NCc3ccccc3OC)c(C)c12
InChIInChI=1S/C21H26N4O2S/c1-6-25(7-2)19-17-13(3)18(28-21(17)24-14(4)23-19)20(26)22-12-15-10-8-9-11-16(15)27-5/h8-11H,6-7,12H2,1-5H3,(H,22,26)
InChIKeyYDXLEWSKMIQNJI-UHFFFAOYSA-N
XLogP4.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 3494828) is 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)c1nc(C)nc2sc(C(=O)NCc3ccccc3OC)c(C)c12.
What is the InChIKey of 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YDXLEWSKMIQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-6-25(7-2)19-17-13(3)18(28-21(17)24-14(4)23-19)20(26)22-12-15-10-8-9-11-16(15)27-5/h8-11H,6-7,12H2,1-5H3,(H,22,26).
What are the key properties of 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3494828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).