2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C19H17N5S — CID 71857694

IUPAC2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(C4CC4)nc(NCc4cnc[nH]4)c23)cc1
InChIInChI=1S/C19H17N5S/c1-2-4-12(5-3-1)15-10-25-19-16(15)18(21-9-14-8-20-11-22-14)23-17(24-19)13-6-7-13/h1-5,8,10-11,13H,6-7,9H2,(H,20,22)(H,21,23,24)
InChIKeyNHWZGCJLFMHUEX-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.57
Rot. Bonds5

About 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 71857694) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID71857694
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(C4CC4)nc(NCc4cnc[nH]4)c23)cc1
InChIInChI=1S/C19H17N5S/c1-2-4-12(5-3-1)15-10-25-19-16(15)18(21-9-14-8-20-11-22-14)23-17(24-19)13-6-7-13/h1-5,8,10-11,13H,6-7,9H2,(H,20,22)(H,21,23,24)
InChIKeyNHWZGCJLFMHUEX-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 71857694) is 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3nc(C4CC4)nc(NCc4cnc[nH]4)c23)cc1.
What is the InChIKey of 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NHWZGCJLFMHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-2-4-12(5-3-1)15-10-25-19-16(15)18(21-9-14-8-20-11-22-14)23-17(24-19)13-6-7-13/h1-5,8,10-11,13H,6-7,9H2,(H,20,22)(H,21,23,24).
What are the key properties of 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 347.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1H-imidazol-5-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71857694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).