4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide

C17H18N4OS — CID 8934330

IUPAC4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
SMILESCc1sc2ncnc(Nc3ccc(C(=O)N(C)C)cc3)c2c1C
InChIInChI=1S/C17H18N4OS/c1-10-11(2)23-16-14(10)15(18-9-19-16)20-13-7-5-12(6-8-13)17(22)21(3)4/h5-9H,1-4H3,(H,18,19,20)
InChIKeyBIGPMFGWRIEPQY-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.75
Rot. Bonds3

About 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide

4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide (PubChem CID 8934330) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
PubChem CID8934330
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
SMILESCc1sc2ncnc(Nc3ccc(C(=O)N(C)C)cc3)c2c1C
InChIInChI=1S/C17H18N4OS/c1-10-11(2)23-16-14(10)15(18-9-19-16)20-13-7-5-12(6-8-13)17(22)21(3)4/h5-9H,1-4H3,(H,18,19,20)
InChIKeyBIGPMFGWRIEPQY-UHFFFAOYSA-N
XLogP3.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 9184743
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N,N-dimethyl-4-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]benzamide
CID 9100994
N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide
CID 21010459
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 2791328
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
propan-2-yl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012642
ethyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791805
4-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012308
1-[4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009524

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide (CID 8934330) is 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide is Cc1sc2ncnc(Nc3ccc(C(=O)N(C)C)cc3)c2c1C.
What is the InChIKey of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide?
The InChIKey is BIGPMFGWRIEPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-11(2)23-16-14(10)15(18-9-19-16)20-13-7-5-12(6-8-13)17(22)21(3)4/h5-9H,1-4H3,(H,18,19,20).
What are the key properties of 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide?
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide has a molecular weight of 326.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 8934330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).