N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C16H18N4S — CID 2407826

IUPACN,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)CCc3ccccn3)c2c1C
InChIInChI=1S/C16H18N4S/c1-11-12(2)21-16-14(11)15(18-10-19-16)20(3)9-7-13-6-4-5-8-17-13/h4-6,8,10H,7,9H2,1-3H3
InChIKeyIJSXMJDSFQWUKW-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.38
Rot. Bonds4

About N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2407826) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2407826
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC NameN,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)CCc3ccccn3)c2c1C
InChIInChI=1S/C16H18N4S/c1-11-12(2)21-16-14(11)15(18-10-19-16)20(3)9-7-13-6-4-5-8-17-13/h4-6,8,10H,7,9H2,1-3H3
InChIKeyIJSXMJDSFQWUKW-UHFFFAOYSA-N
XLogP3.38
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2407826) is N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)CCc3ccccn3)c2c1C.
What is the InChIKey of N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IJSXMJDSFQWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-12(2)21-16-14(11)15(18-10-19-16)20(3)9-7-13-6-4-5-8-17-13/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2407826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).