2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C19H28N6 — CID 155941829

IUPAC2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H28N6/c1-6-15-14(2)22-17(19(3,4)5)23-16(15)24-10-12-25(13-11-24)18-20-8-7-9-21-18/h7-9H,6,10-13H2,1-5H3
InChIKeyLSFFOEGETRCHNK-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.76
Rot. Bonds3

About 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 155941829) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID155941829
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H28N6/c1-6-15-14(2)22-17(19(3,4)5)23-16(15)24-10-12-25(13-11-24)18-20-8-7-9-21-18/h7-9H,6,10-13H2,1-5H3
InChIKeyLSFFOEGETRCHNK-UHFFFAOYSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-5-fluoro-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-methylpyrimidine
CID 155798355
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 879100
2-[4-(2,4,4-trimethylhexan-2-yl)piperazin-1-yl]pyrimidine
CID 123876460
N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875572
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 71802385
[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
CID 28963502
2-[4-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]pyrimidine
CID 107079291
2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80939063
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 155941829) is 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is CCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is LSFFOEGETRCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-6-15-14(2)22-17(19(3,4)5)23-16(15)24-10-12-25(13-11-24)18-20-8-7-9-21-18/h7-9H,6,10-13H2,1-5H3.
What are the key properties of 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 340.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 155941829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).