4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine

C15H26N4 — CID 64945782

IUPAC4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
SMILESCc1nccc(CN2CC(C)(C)NCC2C(C)C)n1
InChIInChI=1S/C15H26N4/c1-11(2)14-8-17-15(4,5)10-19(14)9-13-6-7-16-12(3)18-13/h6-7,11,14,17H,8-10H2,1-5H3
InChIKeyKNHNMEFJEMCNBB-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds3

About 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine

4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine (PubChem CID 64945782) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
PubChem CID64945782
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
SMILESCc1nccc(CN2CC(C)(C)NCC2C(C)C)n1
InChIInChI=1S/C15H26N4/c1-11(2)14-8-17-15(4,5)10-19(14)9-13-6-7-16-12(3)18-13/h6-7,11,14,17H,8-10H2,1-5H3
InChIKeyKNHNMEFJEMCNBB-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376746
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64947762
3,3-dimethyl-1-[(2-methylpyrimidin-4-yl)methyl]-1,4-diazepane
CID 64948748
8-methyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946365
4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043394
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840083
8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946171
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64941949

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine?
The IUPAC name of 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine (CID 64945782) is 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine?
The canonical SMILES for 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine is Cc1nccc(CN2CC(C)(C)NCC2C(C)C)n1.
What is the InChIKey of 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine?
The InChIKey is KNHNMEFJEMCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)14-8-17-15(4,5)10-19(14)9-13-6-7-16-12(3)18-13/h6-7,11,14,17H,8-10H2,1-5H3.
What are the key properties of 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine?
4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine is sourced from PubChem (CID 64945782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).