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

C12H12N4S2 — CID 103324522

IUPAC2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2cccs2)c2ccsc2n1
InChIInChI=1S/C12H12N4S2/c1-13-12-15-10(9-4-6-18-11(9)16-12)14-7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyNAQWMMQRYOJMCU-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.41
Rot. Bonds4

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

2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324522) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324522
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2cccs2)c2ccsc2n1
InChIInChI=1S/C12H12N4S2/c1-13-12-15-10(9-4-6-18-11(9)16-12)14-7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyNAQWMMQRYOJMCU-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328163
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424574
4-N-[(2-bromophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325539
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
2-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326941
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324522) is 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCc2cccs2)c2ccsc2n1.
What is the InChIKey of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NAQWMMQRYOJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-13-12-15-10(9-4-6-18-11(9)16-12)14-7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).