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

C12H12N4S2 — CID 112750421

IUPAC2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2cccs2)c2sccc2n1
InChIInChI=1S/C12H12N4S2/c1-13-12-15-9-4-6-18-10(9)11(16-12)14-7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyONZLMBSXCHBTAR-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.41
Rot. Bonds4

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

2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 112750421) 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[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID112750421
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2cccs2)c2sccc2n1
InChIInChI=1S/C12H12N4S2/c1-13-12-15-9-4-6-18-10(9)11(16-12)14-7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyONZLMBSXCHBTAR-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-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750459
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
2-N-tert-butyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 146234446
[4-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 139939943
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 112750421) is 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is CNc1nc(NCc2cccs2)c2sccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is ONZLMBSXCHBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-13-12-15-9-4-6-18-10(9)11(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[3,2-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-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[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 112750421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).