2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine

C17H30N4 — CID 64849982

IUPAC2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CN(Cc2ncccn2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H30N4/c1-6-13(2)14-11-21(12-16-18-8-7-9-19-16)15(10-20-14)17(3,4)5/h7-9,13-15,20H,6,10-12H2,1-5H3
InChIKeyHNDPRANVRSYSEV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.71
Rot. Bonds4

About 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine

2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64849982) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64849982
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CN(Cc2ncccn2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H30N4/c1-6-13(2)14-11-21(12-16-18-8-7-9-19-16)15(10-20-14)17(3,4)5/h7-9,13-15,20H,6,10-12H2,1-5H3
InChIKeyHNDPRANVRSYSEV-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 64840780
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
5-butan-2-yl-2-tert-butyl-1-(cyclobutylmethyl)piperazine
CID 65462273
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine
CID 64845896
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64847638
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
CID 64847284
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine (CID 64849982) is 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine is CCC(C)C1CN(Cc2ncccn2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is HNDPRANVRSYSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-13(2)14-11-21(12-16-18-8-7-9-19-16)15(10-20-14)17(3,4)5/h7-9,13-15,20H,6,10-12H2,1-5H3.
What are the key properties of 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine?
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 290.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64849982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).