N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H17N5S — CID 572638

IUPACN-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCCn3ccnc3)c2c1C
InChIInChI=1S/C14H17N5S/c1-10-11(2)20-14-12(10)13(17-8-18-14)16-4-3-6-19-7-5-15-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyXHPOHDRVYPMQSQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.01
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 572638) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID572638
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCCn3ccnc3)c2c1C
InChIInChI=1S/C14H17N5S/c1-10-11(2)20-14-12(10)13(17-8-18-14)16-4-3-6-19-7-5-15-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyXHPOHDRVYPMQSQ-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 572638) is N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCCCn3ccnc3)c2c1C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XHPOHDRVYPMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-10-11(2)20-14-12(10)13(17-8-18-14)16-4-3-6-19-7-5-15-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 572638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).