5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine

C9H8ClN3S — CID 15746030

IUPAC5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2scc(Cl)c12
InChIInChI=1S/C9H8ClN3S/c1-2-3-11-8-7-6(10)4-14-9(7)13-5-12-8/h2,4-5H,1,3H2,(H,11,12,13)
InChIKeyAZCDNMQVKIMNRN-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.94
Rot. Bonds3

About 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine

5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 15746030) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
PubChem CID15746030
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2scc(Cl)c12
InChIInChI=1S/C9H8ClN3S/c1-2-3-11-8-7-6(10)4-14-9(7)13-5-12-8/h2,4-5H,1,3H2,(H,11,12,13)
InChIKeyAZCDNMQVKIMNRN-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine (CID 15746030) is 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine is C=CCNc1ncnc2scc(Cl)c12.
What is the InChIKey of 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AZCDNMQVKIMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-2-3-11-8-7-6(10)4-14-9(7)13-5-12-8/h2,4-5H,1,3H2,(H,11,12,13).
What are the key properties of 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 225.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15746030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).