N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine

C11H11N3S — CID 103704438

IUPACN-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
SMILESC#CCCCNc1ncnc2ccsc12
InChIInChI=1S/C11H11N3S/c1-2-3-4-6-12-11-10-9(5-7-15-10)13-8-14-11/h1,5,7-8H,3-4,6H2,(H,12,13,14)
InChIKeyODCABBOSKDHLRC-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.52
Rot. Bonds4

About N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine

N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 103704438) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
PubChem CID103704438
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC NameN-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
SMILESC#CCCCNc1ncnc2ccsc12
InChIInChI=1S/C11H11N3S/c1-2-3-4-6-12-11-10-9(5-7-15-10)13-8-14-11/h1,5,7-8H,3-4,6H2,(H,12,13,14)
InChIKeyODCABBOSKDHLRC-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine (CID 103704438) is N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine is C#CCCCNc1ncnc2ccsc12.
What is the InChIKey of N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ODCABBOSKDHLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-3-4-6-12-11-10-9(5-7-15-10)13-8-14-11/h1,5,7-8H,3-4,6H2,(H,12,13,14).
What are the key properties of N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine?
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 217.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 103704438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).