4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine

C22H25N5O — CID 112888352

IUPAC4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(Nc3ccccc3Oc3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-2-26-14-16-27(17-15-26)21-12-13-23-22(25-21)24-19-10-6-7-11-20(19)28-18-8-4-3-5-9-18/h3-13H,2,14-17H2,1H3,(H,23,24,25)
InChIKeyCAUMMTNMKIVIMR-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.15
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine

4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine (PubChem CID 112888352) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
PubChem CID112888352
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(Nc3ccccc3Oc3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-2-26-14-16-27(17-15-26)21-12-13-23-22(25-21)24-19-10-6-7-11-20(19)28-18-8-4-3-5-9-18/h3-13H,2,14-17H2,1H3,(H,23,24,25)
InChIKeyCAUMMTNMKIVIMR-UHFFFAOYSA-N
XLogP4.15
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
ethyl 2-[[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112888365
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
ethyl 4-[2-(2-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897936
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine (CID 112888352) is 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine is CCN1CCN(c2ccnc(Nc3ccccc3Oc3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine?
The InChIKey is CAUMMTNMKIVIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-26-14-16-27(17-15-26)21-12-13-23-22(25-21)24-19-10-6-7-11-20(19)28-18-8-4-3-5-9-18/h3-13H,2,14-17H2,1H3,(H,23,24,25).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine?
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112888352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).