5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide

C18H20N4OS — CID 75399999

IUPAC5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
SMILESCc1nc(NCCCCC(N)=O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4OS/c1-12-21-17(20-10-6-5-9-16(19)23)14-11-15(24-18(14)22-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyUFNPJKNDBZRRTF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.73
Rot. Bonds7

About 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide

5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide (PubChem CID 75399999) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
PubChem CID75399999
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
SMILESCc1nc(NCCCCC(N)=O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H20N4OS/c1-12-21-17(20-10-6-5-9-16(19)23)14-11-15(24-18(14)22-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyUFNPJKNDBZRRTF-UHFFFAOYSA-N
XLogP3.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide (CID 75399999) is 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide is Cc1nc(NCCCCC(N)=O)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide?
The InChIKey is UFNPJKNDBZRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-21-17(20-10-6-5-9-16(19)23)14-11-15(24-18(14)22-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide?
5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide has a molecular weight of 340.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 75399999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).