N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C19H21FN4OS — CID 9402936

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc(NCC(=O)NCCc2ccc(F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H21FN4OS/c1-11-12(2)26-19-17(11)18(23-13(3)24-19)22-10-16(25)21-9-8-14-4-6-15(20)7-5-14/h4-7H,8-10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyOQPYVCCHYQMLCJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 9402936) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID9402936
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc(NCC(=O)NCCc2ccc(F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H21FN4OS/c1-11-12(2)26-19-17(11)18(23-13(3)24-19)22-10-16(25)21-9-8-14-4-6-15(20)7-5-14/h4-7H,8-10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyOQPYVCCHYQMLCJ-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide with MolForge

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Related Compounds

N-(3-methylbutyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085132
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680548
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 39084874
N-(2,6-dimethylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195720
4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 28844051
2-chloro-N-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 18460355
1-piperidin-1-yl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39082060
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694023
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 9402936) is N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is Cc1nc(NCC(=O)NCCc2ccc(F)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is OQPYVCCHYQMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-11-12(2)26-19-17(11)18(23-13(3)24-19)22-10-16(25)21-9-8-14-4-6-15(20)7-5-14/h4-7H,8-10H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 9402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).