2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine

C21H31N5 — CID 112914386

IUPAC2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3c(C)cccc3C(C)C)n2)CC1
InChIInChI=1S/C21H31N5/c1-6-25-10-12-26(13-11-25)21-22-17(5)14-19(24-21)23-20-16(4)8-7-9-18(20)15(2)3/h7-9,14-15H,6,10-13H2,1-5H3,(H,22,23,24)
InChIKeyLZAFGMBIHDVSOZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine

2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112914386) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112914386
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(Nc3c(C)cccc3C(C)C)n2)CC1
InChIInChI=1S/C21H31N5/c1-6-25-10-12-26(13-11-25)21-22-17(5)14-19(24-21)23-20-16(4)8-7-9-18(20)15(2)3/h7-9,14-15H,6,10-13H2,1-5H3,(H,22,23,24)
InChIKeyLZAFGMBIHDVSOZ-UHFFFAOYSA-N
XLogP4.10
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112910958
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
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
6-methyl-N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924042
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
ethyl 4-[4-(2-ethyl-6-methylanilino)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112923376

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (CID 112914386) is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is CCN1CCN(c2nc(C)cc(Nc3c(C)cccc3C(C)C)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is LZAFGMBIHDVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-6-25-10-12-26(13-11-25)21-22-17(5)14-19(24-21)23-20-16(4)8-7-9-18(20)15(2)3/h7-9,14-15H,6,10-13H2,1-5H3,(H,22,23,24).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112914386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).