3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one

C20H20N6O — CID 10286949

IUPAC3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one
SMILESO=C1NCCN(c2ccnc(NCc3ccccn3)n2)C1c1ccccc1
InChIInChI=1S/C20H20N6O/c27-19-18(15-6-2-1-3-7-15)26(13-12-22-19)17-9-11-23-20(25-17)24-14-16-8-4-5-10-21-16/h1-11,18H,12-14H2,(H,22,27)(H,23,24,25)
InChIKeyNAEYYPXAIYOPDA-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.16
Rot. Bonds5

About 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one

3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 10286949) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID10286949
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one
SMILESO=C1NCCN(c2ccnc(NCc3ccccn3)n2)C1c1ccccc1
InChIInChI=1S/C20H20N6O/c27-19-18(15-6-2-1-3-7-15)26(13-12-22-19)17-9-11-23-20(25-17)24-14-16-8-4-5-10-21-16/h1-11,18H,12-14H2,(H,22,27)(H,23,24,25)
InChIKeyNAEYYPXAIYOPDA-UHFFFAOYSA-N
XLogP2.16
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
4-[2-(3-methylanilino)pyrimidin-4-yl]-3-phenylpiperazin-2-one
CID 10237095
4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
CID 69101897
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine
CID 166376094
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
4-N-(1,1-dioxothiolan-3-yl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893300
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one (CID 10286949) is 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one is O=C1NCCN(c2ccnc(NCc3ccccn3)n2)C1c1ccccc1.
What is the InChIKey of 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is NAEYYPXAIYOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-19-18(15-6-2-1-3-7-15)26(13-12-22-19)17-9-11-23-20(25-17)24-14-16-8-4-5-10-21-16/h1-11,18H,12-14H2,(H,22,27)(H,23,24,25).
What are the key properties of 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one?
3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 360.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 10286949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).