2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine

C22H22N4O2S — CID 46943035

IUPAC2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCc2ccccc2OC)c2sccc2n1
InChIInChI=1S/C22H22N4O2S/c1-27-18-9-5-3-7-15(18)13-23-21-20-17(11-12-29-20)25-22(26-21)24-14-16-8-4-6-10-19(16)28-2/h3-12H,13-14H2,1-2H3,(H2,23,24,25,26)
InChIKeyUUDJFELAGLTVIE-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.93
Rot. Bonds8

About 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46943035) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46943035
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCc2ccccc2OC)c2sccc2n1
InChIInChI=1S/C22H22N4O2S/c1-27-18-9-5-3-7-15(18)13-23-21-20-17(11-12-29-20)25-22(26-21)24-14-16-8-4-6-10-19(16)28-2/h3-12H,13-14H2,1-2H3,(H2,23,24,25,26)
InChIKeyUUDJFELAGLTVIE-UHFFFAOYSA-N
XLogP4.93
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 46943035) is 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is COc1ccccc1CNc1nc(NCc2ccccc2OC)c2sccc2n1.
What is the InChIKey of 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UUDJFELAGLTVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-27-18-9-5-3-7-15(18)13-23-21-20-17(11-12-29-20)25-22(26-21)24-14-16-8-4-6-10-19(16)28-2/h3-12H,13-14H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 406.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46943035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).