N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine

C10H12BrN3S — CID 80673016

IUPACN-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CCBr)c1ncnc2sccc12
InChIInChI=1S/C10H12BrN3S/c1-2-14(5-4-11)9-8-3-6-15-10(8)13-7-12-9/h3,6-7H,2,4-5H2,1H3
InChIKeyRWJKPGGAEQINBF-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.91
Rot. Bonds4

About N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine

N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 80673016) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID80673016
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC NameN-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CCBr)c1ncnc2sccc12
InChIInChI=1S/C10H12BrN3S/c1-2-14(5-4-11)9-8-3-6-15-10(8)13-7-12-9/h3,6-7H,2,4-5H2,1H3
InChIKeyRWJKPGGAEQINBF-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 80673016) is N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCN(CCBr)c1ncnc2sccc12.
What is the InChIKey of N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RWJKPGGAEQINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-2-14(5-4-11)9-8-3-6-15-10(8)13-7-12-9/h3,6-7H,2,4-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 286.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 80673016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).