4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H18FN3 — CID 171337697

IUPAC4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCC(CF)C3)n1)CCC2
InChIInChI=1S/C13H18FN3/c1-9-15-12-4-2-3-11(12)13(16-9)17-6-5-10(7-14)8-17/h10H,2-8H2,1H3
InChIKeyLGRUAHHAAWRTEZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.07
Rot. Bonds2

About 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 171337697) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID171337697
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCC(CF)C3)n1)CCC2
InChIInChI=1S/C13H18FN3/c1-9-15-12-4-2-3-11(12)13(16-9)17-6-5-10(7-14)8-17/h10H,2-8H2,1H3
InChIKeyLGRUAHHAAWRTEZ-UHFFFAOYSA-N
XLogP2.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 171337697) is 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(N3CCC(CF)C3)n1)CCC2.
What is the InChIKey of 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is LGRUAHHAAWRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-9-15-12-4-2-3-11(12)13(16-9)17-6-5-10(7-14)8-17/h10H,2-8H2,1H3.
What are the key properties of 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 235.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)pyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 171337697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).