N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine

C20H29N5 — CID 112914381

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1cc(C)nc(N2CCN(CC)CC2)n1
InChIInChI=1S/C20H29N5/c1-5-17-9-7-8-15(3)19(17)22-18-14-16(4)21-20(23-18)25-12-10-24(6-2)11-13-25/h7-9,14H,5-6,10-13H2,1-4H3,(H,21,22,23)
InChIKeyZEVUKIJSBXLDTR-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.54
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine

N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112914381) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112914381
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1cc(C)nc(N2CCN(CC)CC2)n1
InChIInChI=1S/C20H29N5/c1-5-17-9-7-8-15(3)19(17)22-18-14-16(4)21-20(23-18)25-12-10-24(6-2)11-13-25/h7-9,14H,5-6,10-13H2,1-4H3,(H,21,22,23)
InChIKeyZEVUKIJSBXLDTR-UHFFFAOYSA-N
XLogP3.54
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
ethyl 4-[4-(2-ethyl-6-methylanilino)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112923376
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913349
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
2-(4-acetylpiperazin-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326608

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine (CID 112914381) is N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine is CCc1cccc(C)c1Nc1cc(C)nc(N2CCN(CC)CC2)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is ZEVUKIJSBXLDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-5-17-9-7-8-15(3)19(17)22-18-14-16(4)21-20(23-18)25-12-10-24(6-2)11-13-25/h7-9,14H,5-6,10-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine?
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112914381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).