N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C11H14BrF2N3 — CID 107489637

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)CN(CCBr)c1ncnc2c1CCC2
InChIInChI=1S/C11H14BrF2N3/c12-4-5-17(6-10(13)14)11-8-2-1-3-9(8)15-7-16-11/h7,10H,1-6H2
InChIKeyVHLSENRTLPYKCG-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.43
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 107489637) has the molecular formula C11H14BrF2N3 and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID107489637
Molecular FormulaC11H14BrF2N3
Molecular Weight306.15 g/mol
Exact Mass305.03
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFC(F)CN(CCBr)c1ncnc2c1CCC2
InChIInChI=1S/C11H14BrF2N3/c12-4-5-17(6-10(13)14)11-8-2-1-3-9(8)15-7-16-11/h7,10H,1-6H2
InChIKeyVHLSENRTLPYKCG-UHFFFAOYSA-N
XLogP2.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 107489637) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is FC(F)CN(CCBr)c1ncnc2c1CCC2.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is VHLSENRTLPYKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N3/c12-4-5-17(6-10(13)14)11-8-2-1-3-9(8)15-7-16-11/h7,10H,1-6H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 306.15 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 107489637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).