4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine

C15H17FN4O — CID 97282747

IUPAC4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CC[C@H](c3ccccc3F)C2)nc(N)n1
InChIInChI=1S/C15H17FN4O/c1-21-14-8-13(18-15(17)19-14)20-7-6-10(9-20)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyLFUKBKWPQYFTIW-JTQLQIEISA-N
MW288.33 g/mol
LogP2.20
Rot. Bonds3

About 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine

4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 97282747) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID97282747
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CC[C@H](c3ccccc3F)C2)nc(N)n1
InChIInChI=1S/C15H17FN4O/c1-21-14-8-13(18-15(17)19-14)20-7-6-10(9-20)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyLFUKBKWPQYFTIW-JTQLQIEISA-N
XLogP2.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine (CID 97282747) is 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CC[C@H](c3ccccc3F)C2)nc(N)n1.
What is the InChIKey of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is LFUKBKWPQYFTIW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN4O/c1-21-14-8-13(18-15(17)19-14)20-7-6-10(9-20)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,19)/t10-/m0/s1.
What are the key properties of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 288.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 97282747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).