N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine

C20H29N5 — CID 112914294

IUPACN-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(N(CC)c3cccc(C)c3)n2)CC1
InChIInChI=1S/C20H29N5/c1-5-23-10-12-24(13-11-23)19-15-17(4)21-20(22-19)25(6-2)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyHEQOFMSHYQUMNI-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.39
Rot. Bonds5

About N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine

N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 112914294) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID112914294
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(N(CC)c3cccc(C)c3)n2)CC1
InChIInChI=1S/C20H29N5/c1-5-23-10-12-24(13-11-23)19-15-17(4)21-20(22-19)25(6-2)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3
InChIKeyHEQOFMSHYQUMNI-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869319
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914202
4-[2-(N-benzylanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914606
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine (CID 112914294) is N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine is CCN1CCN(c2cc(C)nc(N(CC)c3cccc(C)c3)n2)CC1.
What is the InChIKey of N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is HEQOFMSHYQUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-5-23-10-12-24(13-11-23)19-15-17(4)21-20(22-19)25(6-2)18-9-7-8-16(3)14-18/h7-9,14-15H,5-6,10-13H2,1-4H3.
What are the key properties of N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine?
N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 339.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112914294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).