[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone

C24H27N5O2 — CID 56699579

IUPAC[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H27N5O2/c1-18-17-22(26-24(25-18)29-13-15-31-16-14-29)27-9-11-28(12-10-27)23(30)21-8-4-6-19-5-2-3-7-20(19)21/h2-8,17H,9-16H2,1H3
InChIKeyIREUONZNAQCAPX-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.74
Rot. Bonds3

About [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 56699579) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID56699579
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H27N5O2/c1-18-17-22(26-24(25-18)29-13-15-31-16-14-29)27-9-11-28(12-10-27)23(30)21-8-4-6-19-5-2-3-7-20(19)21/h2-8,17H,9-16H2,1H3
InChIKeyIREUONZNAQCAPX-UHFFFAOYSA-N
XLogP2.74
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122339967
(2,5-dimethylfuran-3-yl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333529
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122340045
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122339956
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
1,3-benzothiazol-2-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333533
2-(2-fluorophenyl)-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333558
[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542
(2,3-dimethoxyphenyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477779
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532
4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 56699933

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 56699579) is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone is Cc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is IREUONZNAQCAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-17-22(26-24(25-18)29-13-15-31-16-14-29)27-9-11-28(12-10-27)23(30)21-8-4-6-19-5-2-3-7-20(19)21/h2-8,17H,9-16H2,1H3.
What are the key properties of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 417.51 g/mol, XLogP of 2.74, 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]-naphthalen-1-ylmethanone is sourced from PubChem (CID 56699579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).