2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H13ClFN3 — CID 58075439

IUPAC2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CCC2c1ccccc1F
InChIInChI=1S/C14H13ClFN3/c1-17-13-10-7-6-9(12(10)18-14(15)19-13)8-4-2-3-5-11(8)16/h2-5,9H,6-7H2,1H3,(H,17,18,19)
InChIKeyUSBNYXQJYWDWRR-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.39
Rot. Bonds2

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

2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58075439) has the molecular formula C14H13ClFN3 and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58075439
Molecular FormulaC14H13ClFN3
Molecular Weight277.73 g/mol
Exact Mass277.08
IUPAC Name2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CCC2c1ccccc1F
InChIInChI=1S/C14H13ClFN3/c1-17-13-10-7-6-9(12(10)18-14(15)19-13)8-4-2-3-5-11(8)16/h2-5,9H,6-7H2,1H3,(H,17,18,19)
InChIKeyUSBNYXQJYWDWRR-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 58075439) is 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1CCC2c1ccccc1F.
What is the InChIKey of 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is USBNYXQJYWDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3/c1-17-13-10-7-6-9(12(10)18-14(15)19-13)8-4-2-3-5-11(8)16/h2-5,9H,6-7H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 277.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2-fluorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58075439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).