2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide

C16H19N5O2 — CID 142787178

IUPAC2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide
SMILESCc1ccc(Oc2ccnc(N3CCNCC3)n2)cc1C(N)=O
InChIInChI=1S/C16H19N5O2/c1-11-2-3-12(10-13(11)15(17)22)23-14-4-5-19-16(20-14)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3,(H2,17,22)
InChIKeyCZMDZKCMYZUSOM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide

2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide (PubChem CID 142787178) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide
PubChem CID142787178
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide
SMILESCc1ccc(Oc2ccnc(N3CCNCC3)n2)cc1C(N)=O
InChIInChI=1S/C16H19N5O2/c1-11-2-3-12(10-13(11)15(17)22)23-14-4-5-19-16(20-14)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3,(H2,17,22)
InChIKeyCZMDZKCMYZUSOM-UHFFFAOYSA-N
XLogP1.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine
CID 135278992
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703
4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine
CID 177308102
2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141414242
1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56554199
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575190
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide (CID 142787178) is 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide is Cc1ccc(Oc2ccnc(N3CCNCC3)n2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide?
The InChIKey is CZMDZKCMYZUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-2-3-12(10-13(11)15(17)22)23-14-4-5-19-16(20-14)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3,(H2,17,22).
What are the key properties of 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide?
2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide has a molecular weight of 313.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 142787178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).