N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C19H20FN3O3S — CID 9120702

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C19H20FN3O3S/c1-11-15-18(26-3)22-14(10-25-2)23-19(15)27-16(11)17(24)21-9-8-12-4-6-13(20)7-5-12/h4-7H,8-10H2,1-3H3,(H,21,24)
InChIKeyZLRQGTACQZUZRN-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 9120702) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID9120702
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C19H20FN3O3S/c1-11-15-18(26-3)22-14(10-25-2)23-19(15)27-16(11)17(24)21-9-8-12-4-6-13(20)7-5-12/h4-7H,8-10H2,1-3H3,(H,21,24)
InChIKeyZLRQGTACQZUZRN-UHFFFAOYSA-N
XLogP3.27
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2117377
N-(3-(Dimethylamino)propyl)-4-((4-fluoro-2-isopropoxyphenyl)amino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44634490
2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
CID 645407
2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
CID 651813
2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 655638
N-(2-furylmethyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide
CID 963163
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2161555
Ethyl 4-[(4-fluorophenyl)methylamino]-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4435403
N-(2-ethoxyphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 6615571
N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 122194699
4-((4-fluoro-2-isopropoxyphenyl)amino)-N-(2-methoxyethyl)-5-methylthieno(2,3-d)pyrimidine-6-carboxamide
CID 122194700
4-(4-fluoro-2-propan-2-yloxyanilino)-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 122194701

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 9120702) is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(F)cc3)sc2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZLRQGTACQZUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-11-15-18(26-3)22-14(10-25-2)23-19(15)27-16(11)17(24)21-9-8-12-4-6-13(20)7-5-12/h4-7H,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 9120702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).