(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H20N6O — CID 109310580

IUPAC(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(Nc2ccccc2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N6O/c27-19(26-14-12-25(13-15-26)18-8-4-5-10-21-18)17-9-11-22-20(24-17)23-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,23,24)
InChIKeyBKUZLJLRGYEJFH-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.58
Rot. Bonds4

About (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109310580) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109310580
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(Nc2ccccc2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N6O/c27-19(26-14-12-25(13-15-26)18-8-4-5-10-21-18)17-9-11-22-20(24-17)23-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,23,24)
InChIKeyBKUZLJLRGYEJFH-UHFFFAOYSA-N
XLogP2.58
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
4-(2-anilinopyrimidine-4-carbonyl)piperazine-1-carboxylic acid
CID 174220417
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58716700
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109310580) is (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccnc(Nc2ccccc2)n1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BKUZLJLRGYEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-19(26-14-12-25(13-15-26)18-8-4-5-10-21-18)17-9-11-22-20(24-17)23-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,23,24).
What are the key properties of (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109310580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).