N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine

C22H33N5 — CID 112858173

IUPACN-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3c(C(C)C)cccc3C(C)C)ncn2)CC1
InChIInChI=1S/C22H33N5/c1-6-26-10-12-27(13-11-26)21-14-20(23-15-24-21)25-22-18(16(2)3)8-7-9-19(22)17(4)5/h7-9,14-17H,6,10-13H2,1-5H3,(H,23,24,25)
InChIKeyVKXOCSQNCRJSTL-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.61
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine

N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112858173) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112858173
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3c(C(C)C)cccc3C(C)C)ncn2)CC1
InChIInChI=1S/C22H33N5/c1-6-26-10-12-27(13-11-26)21-14-20(23-15-24-21)25-22-18(16(2)3)8-7-9-19(22)17(4)5/h7-9,14-17H,6,10-13H2,1-5H3,(H,23,24,25)
InChIKeyVKXOCSQNCRJSTL-UHFFFAOYSA-N
XLogP4.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858113
1-[6-[2,6-di(propan-2-yl)anilino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192822
N-(2-methyl-6-propan-2-ylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863312
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
ethyl 4-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112858175
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (CID 112858173) is N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is CCN1CCN(c2cc(Nc3c(C(C)C)cccc3C(C)C)ncn2)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is VKXOCSQNCRJSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-6-26-10-12-27(13-11-26)21-14-20(23-15-24-21)25-22-18(16(2)3)8-7-9-19(22)17(4)5/h7-9,14-17H,6,10-13H2,1-5H3,(H,23,24,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 367.54 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112858173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).