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

C18H25N5O — CID 112888309

IUPACN-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCOc1ccccc1Nc1nccc(N2CCN(CC)CC2)n1
InChIInChI=1S/C18H25N5O/c1-3-22-11-13-23(14-12-22)17-9-10-19-18(21-17)20-15-7-5-6-8-16(15)24-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,19,20,21)
InChIKeyLRIJZJCKDFSYPU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.76
Rot. Bonds6

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

N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112888309) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112888309
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCOc1ccccc1Nc1nccc(N2CCN(CC)CC2)n1
InChIInChI=1S/C18H25N5O/c1-3-22-11-13-23(14-12-22)17-9-10-19-18(21-17)20-15-7-5-6-8-16(15)24-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,19,20,21)
InChIKeyLRIJZJCKDFSYPU-UHFFFAOYSA-N
XLogP2.76
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
ethyl 4-[2-(2-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897936
ethyl 2-[[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112888365
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
4-[3-(2-ethoxyanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946592
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (CID 112888309) is N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is CCOc1ccccc1Nc1nccc(N2CCN(CC)CC2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is LRIJZJCKDFSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22-11-13-23(14-12-22)17-9-10-19-18(21-17)20-15-7-5-6-8-16(15)24-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).