2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine

C18H32N6O — CID 56716702

IUPAC2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine
SMILESCOCCN1CCC(CN2CCN(c3ncc(C)c(N)n3)CC2)CC1
InChIInChI=1S/C18H32N6O/c1-15-13-20-18(21-17(15)19)24-9-7-23(8-10-24)14-16-3-5-22(6-4-16)11-12-25-2/h13,16H,3-12,14H2,1-2H3,(H2,19,20,21)
InChIKeyCSMGQGSFCAXAOL-UHFFFAOYSA-N
MW348.50 g/mol
LogP0.85
Rot. Bonds6

About 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine

2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine (PubChem CID 56716702) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine
PubChem CID56716702
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine
SMILESCOCCN1CCC(CN2CCN(c3ncc(C)c(N)n3)CC2)CC1
InChIInChI=1S/C18H32N6O/c1-15-13-20-18(21-17(15)19)24-9-7-23(8-10-24)14-16-3-5-22(6-4-16)11-12-25-2/h13,16H,3-12,14H2,1-2H3,(H2,19,20,21)
InChIKeyCSMGQGSFCAXAOL-UHFFFAOYSA-N
XLogP0.85
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine (CID 56716702) is 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine is COCCN1CCC(CN2CCN(c3ncc(C)c(N)n3)CC2)CC1.
What is the InChIKey of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine?
The InChIKey is CSMGQGSFCAXAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-15-13-20-18(21-17(15)19)24-9-7-23(8-10-24)14-16-3-5-22(6-4-16)11-12-25-2/h13,16H,3-12,14H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine?
2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine has a molecular weight of 348.50 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 56716702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).