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

C22H26N8O2 — CID 122339956

IUPAC[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H26N8O2/c1-17-15-20(25-22(24-17)29-11-13-32-14-12-29)27-7-9-28(10-8-27)21(31)19-16-23-30(26-19)18-5-3-2-4-6-18/h2-6,15-16H,7-14H2,1H3
InChIKeyAFZVYZPKLORGTC-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.16
Rot. Bonds4

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

[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 122339956) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID122339956
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H26N8O2/c1-17-15-20(25-22(24-17)29-11-13-32-14-12-29)27-7-9-28(10-8-27)21(31)19-16-23-30(26-19)18-5-3-2-4-6-18/h2-6,15-16H,7-14H2,1H3
InChIKeyAFZVYZPKLORGTC-UHFFFAOYSA-N
XLogP1.16
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122341014
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 56699579
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
(2-phenyltriazol-4-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344085
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542
1,3-benzothiazol-2-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333533
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
(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

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 122339956) is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is Cc1cc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is AFZVYZPKLORGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-17-15-20(25-22(24-17)29-11-13-32-14-12-29)27-7-9-28(10-8-27)21(31)19-16-23-30(26-19)18-5-3-2-4-6-18/h2-6,15-16H,7-14H2,1H3.
What are the key properties of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 434.50 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 9 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-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 122339956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).