4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine

C15H17FN4 — CID 72869002

IUPAC4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCC(c2ccccc2F)C1
InChIInChI=1S/C15H17FN4/c1-10-8-18-15(17)19-14(10)20-7-6-11(9-20)12-4-2-3-5-13(12)16/h2-5,8,11H,6-7,9H2,1H3,(H2,17,18,19)
InChIKeyDDARQEABRYOIQL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.50
Rot. Bonds2

About 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine

4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine (PubChem CID 72869002) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
PubChem CID72869002
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCC(c2ccccc2F)C1
InChIInChI=1S/C15H17FN4/c1-10-8-18-15(17)19-14(10)20-7-6-11(9-20)12-4-2-3-5-13(12)16/h2-5,8,11H,6-7,9H2,1H3,(H2,17,18,19)
InChIKeyDDARQEABRYOIQL-UHFFFAOYSA-N
XLogP2.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine (CID 72869002) is 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1N1CCC(c2ccccc2F)C1.
What is the InChIKey of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The InChIKey is DDARQEABRYOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-10-8-18-15(17)19-14(10)20-7-6-11(9-20)12-4-2-3-5-13(12)16/h2-5,8,11H,6-7,9H2,1H3,(H2,17,18,19).
What are the key properties of 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 72869002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).