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

C16H17N3O3S — CID 75493496

IUPACN-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3sccc23)c(OC)c1OC
InChIInChI=1S/C16H17N3O3S/c1-20-12-5-4-10(13(21-2)14(12)22-3)8-17-15-11-6-7-23-16(11)19-9-18-15/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyBJHLZASVWYHMST-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.33
Rot. Bonds6

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

N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 75493496) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID75493496
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3sccc23)c(OC)c1OC
InChIInChI=1S/C16H17N3O3S/c1-20-12-5-4-10(13(21-2)14(12)22-3)8-17-15-11-6-7-23-16(11)19-9-18-15/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyBJHLZASVWYHMST-UHFFFAOYSA-N
XLogP3.33
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 75493496) is N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3sccc23)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BJHLZASVWYHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-20-12-5-4-10(13(21-2)14(12)22-3)8-17-15-11-6-7-23-16(11)19-9-18-15/h4-7,9H,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 331.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75493496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).