(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C22H23N5O2 — CID 109310401

IUPAC(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O2/c1-29-20-10-6-5-9-19(20)26-13-15-27(16-14-26)21(28)18-11-12-23-22(25-18)24-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,25)
InChIKeyQHJMSUAKLRGBCP-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.19
Rot. Bonds5

About (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109310401) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109310401
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O2/c1-29-20-10-6-5-9-19(20)26-13-15-27(16-14-26)21(28)18-11-12-23-22(25-18)24-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,25)
InChIKeyQHJMSUAKLRGBCP-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

4-(2-anilinopyrimidine-4-carbonyl)piperazine-1-carboxylic acid
CID 174220417
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109302322
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319316
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 109310401) is (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccnc(Nc3ccccc3)n2)CC1.
What is the InChIKey of (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QHJMSUAKLRGBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-10-6-5-9-19(20)26-13-15-27(16-14-26)21(28)18-11-12-23-22(25-18)24-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,23,24,25).
What are the key properties of (2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-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-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109310401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).