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

C19H20FN3O3S — CID 17419911

IUPACN-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3cccc(F)c3)sc2n1
InChIInChI=1S/C19H20FN3O3S/c1-11-15-17(26-4)21-14(10-25-3)22-18(15)27-16(11)19(24)23(2)9-12-6-5-7-13(20)8-12/h5-8H,9-10H2,1-4H3
InChIKeyNBLMZFSGXZOCGI-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.57
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 17419911) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID17419911
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3cccc(F)c3)sc2n1
InChIInChI=1S/C19H20FN3O3S/c1-11-15-17(26-4)21-14(10-25-3)22-18(15)27-16(11)19(24)23(2)9-12-6-5-7-13(20)8-12/h5-8H,9-10H2,1-4H3
InChIKeyNBLMZFSGXZOCGI-UHFFFAOYSA-N
XLogP3.57
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 17419911) is N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3cccc(F)c3)sc2n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NBLMZFSGXZOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-11-15-17(26-4)21-14(10-25-3)22-18(15)27-16(11)19(24)23(2)9-12-6-5-7-13(20)8-12/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 17419911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).