2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H18BrN3O — CID 62204247

IUPAC2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)ccc2OC)nc2c1CCC2
InChIInChI=1S/C16H18BrN3O/c1-3-18-15-11-5-4-6-13(11)19-16(20-15)12-9-10(17)7-8-14(12)21-2/h7-9H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyHUYWGLRPYWRZKL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.84
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62204247) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62204247
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)ccc2OC)nc2c1CCC2
InChIInChI=1S/C16H18BrN3O/c1-3-18-15-11-5-4-6-13(11)19-16(20-15)12-9-10(17)7-8-14(12)21-2/h7-9H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyHUYWGLRPYWRZKL-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62204247) is 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(-c2cc(Br)ccc2OC)nc2c1CCC2.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is HUYWGLRPYWRZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-18-15-11-5-4-6-13(11)19-16(20-15)12-9-10(17)7-8-14(12)21-2/h7-9H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 348.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62204247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).