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

C13H14BrN3S — CID 102843853

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)c(C)s2)nc2c1CCC2
InChIInChI=1S/C13H14BrN3S/c1-7-9(14)6-11(18-7)13-16-10-5-3-4-8(10)12(15-2)17-13/h6H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyNBIGLWHBTUWSSH-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.81
Rot. Bonds2

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

2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 102843853) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID102843853
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)c(C)s2)nc2c1CCC2
InChIInChI=1S/C13H14BrN3S/c1-7-9(14)6-11(18-7)13-16-10-5-3-4-8(10)12(15-2)17-13/h6H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyNBIGLWHBTUWSSH-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.81
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-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 102843853) is 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(-c2cc(Br)c(C)s2)nc2c1CCC2.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is NBIGLWHBTUWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-7-9(14)6-11(18-7)13-16-10-5-3-4-8(10)12(15-2)17-13/h6H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 324.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 102843853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).