2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C22H21N3O2S — CID 18162188

IUPAC2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C
InChIInChI=1S/C22H21N3O2S/c1-13-8-5-6-9-16(13)12-25(4)22(26)19-14(2)18-15(3)23-20(24-21(18)28-19)17-10-7-11-27-17/h5-11H,12H2,1-4H3
InChIKeyLCOUFBUPNKZZED-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.15
Rot. Bonds4

About 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18162188) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18162188
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C
InChIInChI=1S/C22H21N3O2S/c1-13-8-5-6-9-16(13)12-25(4)22(26)19-14(2)18-15(3)23-20(24-21(18)28-19)17-10-7-11-27-17/h5-11H,12H2,1-4H3
InChIKeyLCOUFBUPNKZZED-UHFFFAOYSA-N
XLogP5.15
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(furan-2-yl)-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628531
2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 38046916
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628326
N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 52671490
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386272
(2,6-dimethylmorpholin-4-yl)-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 18153458
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24630442
N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 18162188) is 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccccc1CN(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C.
What is the InChIKey of 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LCOUFBUPNKZZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-13-8-5-6-9-16(13)12-25(4)22(26)19-14(2)18-15(3)23-20(24-21(18)28-19)17-10-7-11-27-17/h5-11H,12H2,1-4H3.
What are the key properties of 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18162188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).