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

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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).