cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

C20H25N5O — CID 110267387

IUPACcyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCCC1c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C20H25N5O/c26-19(15-7-1-2-8-15)25-14-6-4-9-17(25)16-11-13-22-20(23-16)24-18-10-3-5-12-21-18/h3,5,10-13,15,17H,1-2,4,6-9,14H2,(H,21,22,23,24)
InChIKeyMVPHVXREIGXESH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.86
Rot. Bonds4

About cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110267387) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110267387
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Namecyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCCC1c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C20H25N5O/c26-19(15-7-1-2-8-15)25-14-6-4-9-17(25)16-11-13-22-20(23-16)24-18-10-3-5-12-21-18/h3,5,10-13,15,17H,1-2,4,6-9,14H2,(H,21,22,23,24)
InChIKeyMVPHVXREIGXESH-UHFFFAOYSA-N
XLogP3.86
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
4-phenyl-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838014
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
CID 95837886

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110267387) is cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCCC1c1ccnc(Nc2ccccn2)n1.
What is the InChIKey of cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is MVPHVXREIGXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(15-7-1-2-8-15)25-14-6-4-9-17(25)16-11-13-22-20(23-16)24-18-10-3-5-12-21-18/h3,5,10-13,15,17H,1-2,4,6-9,14H2,(H,21,22,23,24).
What are the key properties of cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).