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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Related Compounds

2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486449
2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66479077
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
CID 136813751
N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192826
2-(3-fluoro-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193280
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 81442424
2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63481187
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480001

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).