cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C20H25N5O — CID 155902293

IUPACcyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C20H25N5O/c26-19(15-6-2-1-3-7-15)25-13-10-16(14-25)17-9-12-22-20(23-17)24-18-8-4-5-11-21-18/h4-5,8-9,11-12,15-16H,1-3,6-7,10,13-14H2,(H,21,22,23,24)
InChIKeyIBQLYKXHYXQFRO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.51
Rot. Bonds4

About cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 155902293) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID155902293
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Namecyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C20H25N5O/c26-19(15-6-2-1-3-7-15)25-13-10-16(14-25)17-9-12-22-20(23-17)24-18-8-4-5-11-21-18/h4-5,8-9,11-12,15-16H,1-3,6-7,10,13-14H2,(H,21,22,23,24)
InChIKeyIBQLYKXHYXQFRO-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
2-phenoxy-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252112
3-phenyl-1-[(3R)-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124947397
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
cyclohexyl-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53140033
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267189
cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 155985160
6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 155902293) is cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(c2ccnc(Nc3ccccn3)n2)C1.
What is the InChIKey of cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is IBQLYKXHYXQFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(15-6-2-1-3-7-15)25-13-10-16(14-25)17-9-12-22-20(23-17)24-18-8-4-5-11-21-18/h4-5,8-9,11-12,15-16H,1-3,6-7,10,13-14H2,(H,21,22,23,24).
What are the key properties of cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155902293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).