2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13N3S2 — CID 91965651

IUPAC2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccs2)c2cc(C)sc2n1
InChIInChI=1S/C13H13N3S2/c1-8-6-11-12(14-7-10-4-3-5-17-10)15-9(2)16-13(11)18-8/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyKCNYKMPZOSCRLD-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.98
Rot. Bonds3

About 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965651) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91965651
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccs2)c2cc(C)sc2n1
InChIInChI=1S/C13H13N3S2/c1-8-6-11-12(14-7-10-4-3-5-17-10)15-9(2)16-13(11)18-8/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyKCNYKMPZOSCRLD-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965637
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
4-chloro-2-methyl-6-(thiophen-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 80732585
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45153512

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 91965651) is 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2cccs2)c2cc(C)sc2n1.
What is the InChIKey of 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KCNYKMPZOSCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-8-6-11-12(14-7-10-4-3-5-17-10)15-9(2)16-13(11)18-8/h3-6H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).