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

C15H17FN4 — CID 97123008

IUPAC4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CC[C@H](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)/t11-/m0/s1
InChIKeyDDARQEABRYOIQL-NSHDSACASA-N
MW272.33 g/mol
LogP2.50
Rot. Bonds2

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

4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine (PubChem CID 97123008) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
PubChem CID97123008
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CC[C@H](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)/t11-/m0/s1
InChIKeyDDARQEABRYOIQL-NSHDSACASA-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-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine (CID 97123008) is 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1N1CC[C@H](c2ccccc2F)C1.
What is the InChIKey of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
The InChIKey is DDARQEABRYOIQL-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of 4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine?
4-[(3R)-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-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 97123008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).