5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

C15H18FN5 — CID 122558298

IUPAC5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCCN(Cc3cccnc3)C2)nc1
InChIInChI=1S/C15H18FN5/c16-13-8-18-15(19-9-13)20-14-4-2-6-21(11-14)10-12-3-1-5-17-7-12/h1,3,5,7-9,14H,2,4,6,10-11H2,(H,18,19,20)
InChIKeyJCISVZFLZBCZSW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.09
Rot. Bonds4

About 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 122558298) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID122558298
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESFc1cnc(NC2CCCN(Cc3cccnc3)C2)nc1
InChIInChI=1S/C15H18FN5/c16-13-8-18-15(19-9-13)20-14-4-2-6-21(11-14)10-12-3-1-5-17-7-12/h1,3,5,7-9,14H,2,4,6,10-11H2,(H,18,19,20)
InChIKeyJCISVZFLZBCZSW-UHFFFAOYSA-N
XLogP2.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
N-(5-fluoropyrimidin-2-yl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131652690
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
N-(1,4-dithiepan-6-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 122555983
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 118778594

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (CID 122558298) is 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is Fc1cnc(NC2CCCN(Cc3cccnc3)C2)nc1.
What is the InChIKey of 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is JCISVZFLZBCZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-13-8-18-15(19-9-13)20-14-4-2-6-21(11-14)10-12-3-1-5-17-7-12/h1,3,5,7-9,14H,2,4,6,10-11H2,(H,18,19,20).
What are the key properties of 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 287.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 122558298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).