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

C20H19N5O — CID 127252094

IUPACphenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C20H19N5O/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/h1-9,11-12,16H,10,13-14H2,(H,21,22,23,24)
InChIKeyTZUNZNXACZNDFA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.24
Rot. Bonds4

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

phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 127252094) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID127252094
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Namephenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C20H19N5O/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/h1-9,11-12,16H,10,13-14H2,(H,21,22,23,24)
InChIKeyTZUNZNXACZNDFA-UHFFFAOYSA-N
XLogP3.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267189
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
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
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
phenyl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95815306
3-phenyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125017259
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 127252094) is phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[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 phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is TZUNZNXACZNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/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/h1-9,11-12,16H,10,13-14H2,(H,21,22,23,24).
What are the key properties of phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127252094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).