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

C12H11N3S2 — CID 2524807

IUPACN-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1ncnc2sccc12
InChIInChI=1S/C12H11N3S2/c1-15(7-9-3-2-5-16-9)11-10-4-6-17-12(10)14-8-13-11/h2-6,8H,7H2,1H3
InChIKeyAKRBRYDOJWGQRX-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.39
Rot. Bonds3

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

N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2524807) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2524807
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1ncnc2sccc12
InChIInChI=1S/C12H11N3S2/c1-15(7-9-3-2-5-16-9)11-10-4-6-17-12(10)14-8-13-11/h2-6,8H,7H2,1H3
InChIKeyAKRBRYDOJWGQRX-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2524807) is N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CN(Cc1cccs1)c1ncnc2sccc12.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AKRBRYDOJWGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-15(7-9-3-2-5-16-9)11-10-4-6-17-12(10)14-8-13-11/h2-6,8H,7H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 261.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2524807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).