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

C19H18N4OS2 — CID 46948293

IUPAC4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCc2cccs2)nc2ccsc12
InChIInChI=1S/C19H18N4OS2/c1-24-16-7-3-2-5-13(16)11-20-18-17-15(8-10-26-17)22-19(23-18)21-12-14-6-4-9-25-14/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyMXJWAXQUUOCELP-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.99
Rot. Bonds7

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

4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46948293) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46948293
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NCc2cccs2)nc2ccsc12
InChIInChI=1S/C19H18N4OS2/c1-24-16-7-3-2-5-13(16)11-20-18-17-15(8-10-26-17)22-19(23-18)21-12-14-6-4-9-25-14/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyMXJWAXQUUOCELP-UHFFFAOYSA-N
XLogP4.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 46948293) is 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1ccccc1CNc1nc(NCc2cccs2)nc2ccsc12.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is MXJWAXQUUOCELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-24-16-7-3-2-5-13(16)11-20-18-17-15(8-10-26-17)22-19(23-18)21-12-14-6-4-9-25-14/h2-10H,11-12H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 382.51 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46948293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).