[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone

C26H25N5O2 — CID 122342360

IUPAC[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1nc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C26H25N5O2/c1-20-27-24(29-13-7-8-14-29)19-25(28-20)30-15-17-31(18-16-30)26(32)22-11-5-6-12-23(22)33-21-9-3-2-4-10-21/h2-14,19H,15-18H2,1H3
InChIKeyFVKKXYVKOWWTLI-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.33
Rot. Bonds5

About [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone

[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 122342360) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID122342360
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1nc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C26H25N5O2/c1-20-27-24(29-13-7-8-14-29)19-25(28-20)30-15-17-31(18-16-30)26(32)22-11-5-6-12-23(22)33-21-9-3-2-4-10-21/h2-14,19H,15-18H2,1H3
InChIKeyFVKKXYVKOWWTLI-UHFFFAOYSA-N
XLogP4.33
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122338711
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122351043
(2,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035088
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122342395
(4-tert-butylphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342214
indolizin-2-yl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342479
[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 122332488
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122347092

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone (CID 122342360) is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone is Cc1nc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc(-n2cccc2)n1.
What is the InChIKey of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is FVKKXYVKOWWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-20-27-24(29-13-7-8-14-29)19-25(28-20)30-15-17-31(18-16-30)26(32)22-11-5-6-12-23(22)33-21-9-3-2-4-10-21/h2-14,19H,15-18H2,1H3.
What are the key properties of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone?
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 439.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 122342360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).