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

C8H8Cl3N3 — CID 165462414

IUPAC2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(C(Cl)(Cl)Cl)nc2c1CCC2
InChIInChI=1S/C8H8Cl3N3/c9-8(10,11)7-13-5-3-1-2-4(5)6(12)14-7/h1-3H2,(H2,12,13,14)
InChIKeyRZGLBILOJFEERR-UHFFFAOYSA-N
MW252.53 g/mol
LogP2.37
Rot. Bonds

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

2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 165462414) has the molecular formula C8H8Cl3N3 and a molecular weight of 252.53 g/mol. Its IUPAC name is 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID165462414
Molecular FormulaC8H8Cl3N3
Molecular Weight252.53 g/mol
Exact Mass250.98
IUPAC Name2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(C(Cl)(Cl)Cl)nc2c1CCC2
InChIInChI=1S/C8H8Cl3N3/c9-8(10,11)7-13-5-3-1-2-4(5)6(12)14-7/h1-3H2,(H2,12,13,14)
InChIKeyRZGLBILOJFEERR-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 165462414) is 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(C(Cl)(Cl)Cl)nc2c1CCC2.
What is the InChIKey of 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is RZGLBILOJFEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N3/c9-8(10,11)7-13-5-3-1-2-4(5)6(12)14-7/h1-3H2,(H2,12,13,14).
What are the key properties of 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 252.53 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 165462414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).