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

C16H17BrFN3 — CID 81442117

IUPAC2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)c(F)c2)nc2c1CCC2
InChIInChI=1S/C16H17BrFN3/c1-2-8-19-16-11-4-3-5-14(11)20-15(21-16)10-6-7-12(17)13(18)9-10/h6-7,9H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyJZUSBLLUGXDIPM-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.36
Rot. Bonds4

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

2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 81442117) has the molecular formula C16H17BrFN3 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID81442117
Molecular FormulaC16H17BrFN3
Molecular Weight350.24 g/mol
Exact Mass349.06
IUPAC Name2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)c(F)c2)nc2c1CCC2
InChIInChI=1S/C16H17BrFN3/c1-2-8-19-16-11-4-3-5-14(11)20-15(21-16)10-6-7-12(17)13(18)9-10/h6-7,9H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyJZUSBLLUGXDIPM-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 81442117) is 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCNc1nc(-c2ccc(Br)c(F)c2)nc2c1CCC2.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JZUSBLLUGXDIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3/c1-2-8-19-16-11-4-3-5-14(11)20-15(21-16)10-6-7-12(17)13(18)9-10/h6-7,9H,2-5,8H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 350.24 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 81442117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).