2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C11H9BrClN3S — CID 102843827

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2cc(Br)c(Cl)s2)nc2c1CCC2
InChIInChI=1S/C11H9BrClN3S/c12-6-4-8(17-9(6)13)11-15-7-3-1-2-5(7)10(14)16-11/h4H,1-3H2,(H2,14,15,16)
InChIKeyZTQGLTUGRBVLOY-UHFFFAOYSA-N
MW330.64 g/mol
LogP3.69
Rot. Bonds1

About 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 102843827) has the molecular formula C11H9BrClN3S and a molecular weight of 330.64 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID102843827
Molecular FormulaC11H9BrClN3S
Molecular Weight330.64 g/mol
Exact Mass328.94
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2cc(Br)c(Cl)s2)nc2c1CCC2
InChIInChI=1S/C11H9BrClN3S/c12-6-4-8(17-9(6)13)11-15-7-3-1-2-5(7)10(14)16-11/h4H,1-3H2,(H2,14,15,16)
InChIKeyZTQGLTUGRBVLOY-UHFFFAOYSA-N
XLogP3.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 102843827) is 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(-c2cc(Br)c(Cl)s2)nc2c1CCC2.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZTQGLTUGRBVLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3S/c12-6-4-8(17-9(6)13)11-15-7-3-1-2-5(7)10(14)16-11/h4H,1-3H2,(H2,14,15,16).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 330.64 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 102843827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).