2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C20H23N3S — CID 91964687

IUPAC2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3)nc(NC3CCCC3)c2c1C
InChIInChI=1S/C20H23N3S/c1-13-14(2)24-20-18(13)19(21-16-10-6-7-11-16)22-17(23-20)12-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,21,22,23)
InChIKeyAYWPVQNNSPMTIC-UHFFFAOYSA-N
MW337.49 g/mol
LogP5.25
Rot. Bonds4

About 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964687) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964687
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(Cc3ccccc3)nc(NC3CCCC3)c2c1C
InChIInChI=1S/C20H23N3S/c1-13-14(2)24-20-18(13)19(21-16-10-6-7-11-16)22-17(23-20)12-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,21,22,23)
InChIKeyAYWPVQNNSPMTIC-UHFFFAOYSA-N
XLogP5.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91964687) is 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(Cc3ccccc3)nc(NC3CCCC3)c2c1C.
What is the InChIKey of 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AYWPVQNNSPMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-13-14(2)24-20-18(13)19(21-16-10-6-7-11-16)22-17(23-20)12-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 337.49 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).