[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

C22H23N5O2 — CID 109261137

IUPAC[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-20-9-7-18(8-10-20)25-22-23-15-17(16-24-22)21(28)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,23,24,25)
InChIKeyVDBRGEOLJIKKLJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.19
Rot. Bonds5

About [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109261137) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109261137
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-20-9-7-18(8-10-20)25-22-23-15-17(16-24-22)21(28)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,23,24,25)
InChIKeyVDBRGEOLJIKKLJ-UHFFFAOYSA-N
XLogP3.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109247542
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109261137) is [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VDBRGEOLJIKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-9-7-18(8-10-20)25-22-23-15-17(16-24-22)21(28)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,23,24,25).
What are the key properties of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109261137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).