6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine

C17H22FN5 — CID 124955563

IUPAC6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc([C@@H]2CCCN2Cc2ncccc2F)cc(N(C)C)n1
InChIInChI=1S/C17H22FN5/c1-12-20-14(10-17(21-12)22(2)3)16-7-5-9-23(16)11-15-13(18)6-4-8-19-15/h4,6,8,10,16H,5,7,9,11H2,1-3H3/t16-/m0/s1
InChIKeyFKSNCNUJJUZNJC-INIZCTEOSA-N
MW315.40 g/mol
LogP2.72
Rot. Bonds4

About 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine

6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine (PubChem CID 124955563) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
PubChem CID124955563
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc([C@@H]2CCCN2Cc2ncccc2F)cc(N(C)C)n1
InChIInChI=1S/C17H22FN5/c1-12-20-14(10-17(21-12)22(2)3)16-7-5-9-23(16)11-15-13(18)6-4-8-19-15/h4,6,8,10,16H,5,7,9,11H2,1-3H3/t16-/m0/s1
InChIKeyFKSNCNUJJUZNJC-INIZCTEOSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine (CID 124955563) is 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine is Cc1nc([C@@H]2CCCN2Cc2ncccc2F)cc(N(C)C)n1.
What is the InChIKey of 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
The InChIKey is FKSNCNUJJUZNJC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22FN5/c1-12-20-14(10-17(21-12)22(2)3)16-7-5-9-23(16)11-15-13(18)6-4-8-19-15/h4,6,8,10,16H,5,7,9,11H2,1-3H3/t16-/m0/s1.
What are the key properties of 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine has a molecular weight of 315.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 124955563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).