4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine

C17H23N5 — CID 112888269

IUPAC4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(Nc3cccc(C)c3)n2)CC1
InChIInChI=1S/C17H23N5/c1-3-21-9-11-22(12-10-21)16-7-8-18-17(20-16)19-15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20)
InChIKeyMYDJXJDMAOJGCP-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.67
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine

4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 112888269) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID112888269
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(Nc3cccc(C)c3)n2)CC1
InChIInChI=1S/C17H23N5/c1-3-21-9-11-22(12-10-21)16-7-8-18-17(20-16)19-15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20)
InChIKeyMYDJXJDMAOJGCP-UHFFFAOYSA-N
XLogP2.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
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
1-[4-[[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112888321
4-[[4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112898145
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 112888269) is 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine is CCN1CCN(c2ccnc(Nc3cccc(C)c3)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is MYDJXJDMAOJGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-21-9-11-22(12-10-21)16-7-8-18-17(20-16)19-15-6-4-5-14(2)13-15/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112888269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).