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

C18H19FN4OS — CID 31666225

IUPACN-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2ncnc3sc(C)c(C)c23)cc1F
InChIInChI=1S/C18H19FN4OS/c1-10-4-5-13(8-14(10)19)17(24)21-7-6-20-16-15-11(2)12(3)25-18(15)23-9-22-16/h4-5,8-9H,6-7H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyCGNPGFWFUMMXDB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.60
Rot. Bonds5

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

N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 31666225) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID31666225
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2ncnc3sc(C)c(C)c23)cc1F
InChIInChI=1S/C18H19FN4OS/c1-10-4-5-13(8-14(10)19)17(24)21-7-6-20-16-15-11(2)12(3)25-18(15)23-9-22-16/h4-5,8-9H,6-7H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyCGNPGFWFUMMXDB-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39162325
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
ethyl 4-[(3-fluoro-4-methylphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 134032211
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide (CID 31666225) is N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCNc2ncnc3sc(C)c(C)c23)cc1F.
What is the InChIKey of N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is CGNPGFWFUMMXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-10-4-5-13(8-14(10)19)17(24)21-7-6-20-16-15-11(2)12(3)25-18(15)23-9-22-16/h4-5,8-9H,6-7H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 31666225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).