2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C20H30N6 — CID 133333986

IUPAC2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1nccc(N2CCN(c3ccnc(C(C)(C)C)n3)CC2)n1
InChIInChI=1S/C20H30N6/c1-19(2,3)17-21-9-7-15(23-17)25-11-13-26(14-12-25)16-8-10-22-18(24-16)20(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyWUBNNXYJAGSHQQ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.19
Rot. Bonds2

About 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 133333986) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID133333986
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1nccc(N2CCN(c3ccnc(C(C)(C)C)n3)CC2)n1
InChIInChI=1S/C20H30N6/c1-19(2,3)17-21-9-7-15(23-17)25-11-13-26(14-12-25)16-8-10-22-18(24-16)20(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyWUBNNXYJAGSHQQ-UHFFFAOYSA-N
XLogP3.19
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
2-tert-butyl-4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine
CID 171326518
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 75423664
9-(2-tert-butylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 126806735
(3R)-3-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 96566782
(3S)-3-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 96566783
2-tert-butyl-4-[4-(triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133455634
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
CID 71923731
2-tert-butyl-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 139004229
[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 133334317
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 71862486

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 133333986) is 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is CC(C)(C)c1nccc(N2CCN(c3ccnc(C(C)(C)C)n3)CC2)n1.
What is the InChIKey of 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is WUBNNXYJAGSHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-19(2,3)17-21-9-7-15(23-17)25-11-13-26(14-12-25)16-8-10-22-18(24-16)20(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 354.50 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133333986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).