N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine

C15H18FN5 — CID 171995236

IUPACN-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2ccncc2F)C1
InChIInChI=1S/C15H18FN5/c1-20(15-3-6-18-11-19-15)13-4-7-21(10-13)9-12-2-5-17-8-14(12)16/h2-3,5-6,8,11,13H,4,7,9-10H2,1H3
InChIKeyYZOBYBBWWPEBEM-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.72
Rot. Bonds4

About N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine

N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine (PubChem CID 171995236) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
PubChem CID171995236
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC NameN-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2ccncc2F)C1
InChIInChI=1S/C15H18FN5/c1-20(15-3-6-18-11-19-15)13-4-7-21(10-13)9-12-2-5-17-8-14(12)16/h2-3,5-6,8,11,13H,4,7,9-10H2,1H3
InChIKeyYZOBYBBWWPEBEM-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172900849
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171998300
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 172902521
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975
N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
CID 126889025
1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126889048
N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889018
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788
(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one
CID 129348532
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine (CID 171995236) is N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine is CN(c1ccncn1)C1CCN(Cc2ccncc2F)C1.
What is the InChIKey of N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The InChIKey is YZOBYBBWWPEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-20(15-3-6-18-11-19-15)13-4-7-21(10-13)9-12-2-5-17-8-14(12)16/h2-3,5-6,8,11,13H,4,7,9-10H2,1H3.
What are the key properties of N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 171995236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).