2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H14BrN3 — CID 105410395

IUPAC2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3c(n2)CCC3)cc1Br
InChIInChI=1S/C14H14BrN3/c1-8-5-6-9(7-11(8)15)14-17-12-4-2-3-10(12)13(16)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18)
InChIKeyRMRVXSOHBIHMKO-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.29
Rot. Bonds1

About 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 105410395) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID105410395
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3c(n2)CCC3)cc1Br
InChIInChI=1S/C14H14BrN3/c1-8-5-6-9(7-11(8)15)14-17-12-4-2-3-10(12)13(16)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18)
InChIKeyRMRVXSOHBIHMKO-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 105410395) is 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3c(n2)CCC3)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is RMRVXSOHBIHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-8-5-6-9(7-11(8)15)14-17-12-4-2-3-10(12)13(16)18-14/h5-7H,2-4H2,1H3,(H2,16,17,18).
What are the key properties of 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 304.19 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 105410395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).