4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine

C17H30N4O — CID 133408248

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine
SMILESCOCCN1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1
InChIInChI=1S/C17H30N4O/c1-13(2)15-12-16(19-17(18-15)14(3)4)21-8-6-20(7-9-21)10-11-22-5/h12-14H,6-11H2,1-5H3
InChIKeyWXWJFKBOPZSPJU-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.49
Rot. Bonds6

About 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine

4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine (PubChem CID 133408248) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine
PubChem CID133408248
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine
SMILESCOCCN1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1
InChIInChI=1S/C17H30N4O/c1-13(2)15-12-16(19-17(18-15)14(3)4)21-8-6-20(7-9-21)10-11-22-5/h12-14H,6-11H2,1-5H3
InChIKeyWXWJFKBOPZSPJU-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768578
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476366
methyl 4-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethoxy]benzoate
CID 55832039
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 131963146
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 133409488
N-(2-methoxyethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 51074345
4-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 112798607
2-[[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 133407722
3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 121205962

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine (CID 133408248) is 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine is COCCN1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
The InChIKey is WXWJFKBOPZSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13(2)15-12-16(19-17(18-15)14(3)4)21-8-6-20(7-9-21)10-11-22-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine has a molecular weight of 306.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 133408248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).