6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine

C11H12ClN3S — CID 137431990

IUPAC6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CC2)c2cc(Cl)sc2n1
InChIInChI=1S/C11H12ClN3S/c1-2-9-14-10(13-6-3-4-6)7-5-8(12)16-11(7)15-9/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyPRWVIZOTMZKYIR-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.48
Rot. Bonds3

About 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine

6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 137431990) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID137431990
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CC2)c2cc(Cl)sc2n1
InChIInChI=1S/C11H12ClN3S/c1-2-9-14-10(13-6-3-4-6)7-5-8(12)16-11(7)15-9/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyPRWVIZOTMZKYIR-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine (CID 137431990) is 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC2CC2)c2cc(Cl)sc2n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PRWVIZOTMZKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-2-9-14-10(13-6-3-4-6)7-5-8(12)16-11(7)15-9/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137431990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).