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

C17H22FN5 — CID 110113735

IUPAC6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(C2CCCN2Cc2ncccc2F)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
InChIKeyFKSNCNUJJUZNJC-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.72
Rot. Bonds4

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

6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine (PubChem CID 110113735) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
PubChem CID110113735
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(C2CCCN2Cc2ncccc2F)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
InChIKeyFKSNCNUJJUZNJC-UHFFFAOYSA-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

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

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Launch Full Analysis

Related Compounds

6-[(2S)-1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 124955563
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
N,N,2-trimethyl-6-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-amine
CID 125022398
N,N,2-trimethyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 95824229
4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052983
N,N-dimethyl-4-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 124973491
N,N,2-trimethyl-6-(1-pyrazin-2-ylpiperidin-2-yl)pyrimidin-4-amine
CID 110256934
6-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyridazin-3-amine
CID 154802923
N,N,2-trimethyl-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyridin-4-amine
CID 110256927
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
8-fluoro-3-(4-methylpiperazin-1-yl)-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 145424877
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine (CID 110113735) is 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine is Cc1nc(C2CCCN2Cc2ncccc2F)cc(N(C)C)n1.
What is the InChIKey of 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
The InChIKey is FKSNCNUJJUZNJC-UHFFFAOYSA-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.
What are the key properties of 6-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine?
6-[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-[1-[(3-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 110113735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).