[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone

C21H27N5O2 — CID 53047629

IUPAC[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-16-5-3-4-6-18(16)20(27)25-9-7-24(8-10-25)19-15-17(2)22-21(23-19)26-11-13-28-14-12-26/h3-6,15H,7-14H2,1-2H3
InChIKeyJZFZOTVZZGJFEB-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.89
Rot. Bonds3

About [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 53047629) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID53047629
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-16-5-3-4-6-18(16)20(27)25-9-7-24(8-10-25)19-15-17(2)22-21(23-19)26-11-13-28-14-12-26/h3-6,15H,7-14H2,1-2H3
InChIKeyJZFZOTVZZGJFEB-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 53047629) is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is JZFZOTVZZGJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-5-3-4-6-18(16)20(27)25-9-7-24(8-10-25)19-15-17(2)22-21(23-19)26-11-13-28-14-12-26/h3-6,15H,7-14H2,1-2H3.
What are the key properties of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 381.48 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 53047629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).