N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

C20H21FN6 — CID 110111622

IUPACN-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESFc1ccc(CN2CCCC(c3ccnc(Nc4ncccn4)c3)C2)nc1
InChIInChI=1S/C20H21FN6/c21-17-4-5-18(25-12-17)14-27-10-1-3-16(13-27)15-6-9-22-19(11-15)26-20-23-7-2-8-24-20/h2,4-9,11-12,16H,1,3,10,13-14H2,(H,22,23,24,26)
InChIKeyQASJOJYHCHHOOF-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.53
Rot. Bonds5

About N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110111622) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110111622
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC NameN-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESFc1ccc(CN2CCCC(c3ccnc(Nc4ncccn4)c3)C2)nc1
InChIInChI=1S/C20H21FN6/c21-17-4-5-18(25-12-17)14-27-10-1-3-16(13-27)15-6-9-22-19(11-15)26-20-23-7-2-8-24-20/h2,4-9,11-12,16H,1,3,10,13-14H2,(H,22,23,24,26)
InChIKeyQASJOJYHCHHOOF-UHFFFAOYSA-N
XLogP3.53
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111774
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111841
N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111793
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111773
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124986558
3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine
CID 124950083
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111840
N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110097766
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110111622) is N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is Fc1ccc(CN2CCCC(c3ccnc(Nc4ncccn4)c3)C2)nc1.
What is the InChIKey of N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is QASJOJYHCHHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-17-4-5-18(25-12-17)14-27-10-1-3-16(13-27)15-6-9-22-19(11-15)26-20-23-7-2-8-24-20/h2,4-9,11-12,16H,1,3,10,13-14H2,(H,22,23,24,26).
What are the key properties of N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 364.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110111622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).