N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C17H19N3O3S — CID 4788898

IUPACN-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc3sccc23)c(OC)c1OC
InChIInChI=1S/C17H19N3O3S/c1-20(16-12-7-8-24-17(12)19-10-18-16)9-11-5-6-13(21-2)15(23-4)14(11)22-3/h5-8,10H,9H2,1-4H3
InChIKeyAWHOUECFNCVQJN-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 4788898) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID4788898
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc3sccc23)c(OC)c1OC
InChIInChI=1S/C17H19N3O3S/c1-20(16-12-7-8-24-17(12)19-10-18-16)9-11-5-6-13(21-2)15(23-4)14(11)22-3/h5-8,10H,9H2,1-4H3
InChIKeyAWHOUECFNCVQJN-UHFFFAOYSA-N
XLogP3.35
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 4788898) is N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CN(C)c2ncnc3sccc23)c(OC)c1OC.
What is the InChIKey of N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AWHOUECFNCVQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-20(16-12-7-8-24-17(12)19-10-18-16)9-11-5-6-13(21-2)15(23-4)14(11)22-3/h5-8,10H,9H2,1-4H3.
What are the key properties of N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 345.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4788898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).