5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C19H18N4S2 — CID 25384792

IUPAC5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccs3)nc(N[C@H](C)c3ccccn3)c2c1C
InChIInChI=1S/C19H18N4S2/c1-11-13(3)25-19-16(11)18(21-12(2)14-7-4-5-9-20-14)22-17(23-19)15-8-6-10-24-15/h4-10,12H,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyRYOOKTRLUJMBTO-GFCCVEGCSA-N
MW366.52 g/mol
LogP5.60
Rot. Bonds4

About 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 25384792) has the molecular formula C19H18N4S2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID25384792
Molecular FormulaC19H18N4S2
Molecular Weight366.52 g/mol
Exact Mass366.10
IUPAC Name5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccs3)nc(N[C@H](C)c3ccccn3)c2c1C
InChIInChI=1S/C19H18N4S2/c1-11-13(3)25-19-16(11)18(21-12(2)14-7-4-5-9-20-14)22-17(23-19)15-8-6-10-24-15/h4-10,12H,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyRYOOKTRLUJMBTO-GFCCVEGCSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 25384792) is 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccs3)nc(N[C@H](C)c3ccccn3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RYOOKTRLUJMBTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N4S2/c1-11-13(3)25-19-16(11)18(21-12(2)14-7-4-5-9-20-14)22-17(23-19)15-8-6-10-24-15/h4-10,12H,1-3H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.52 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25384792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).