2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide

C18H31N5O2 — CID 59336112

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC(C)C)CC2)nc(C)c1N
InChIInChI=1S/C18H31N5O2/c1-12(2)10-23-8-6-15(7-9-23)22(5)16(24)11-25-18-20-13(3)17(19)14(4)21-18/h12,15H,6-11,19H2,1-5H3
InChIKeyUSAMEHRUAYOOTQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.63
Rot. Bonds6

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide (PubChem CID 59336112) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
PubChem CID59336112
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC(C)C)CC2)nc(C)c1N
InChIInChI=1S/C18H31N5O2/c1-12(2)10-23-8-6-15(7-9-23)22(5)16(24)11-25-18-20-13(3)17(19)14(4)21-18/h12,15H,6-11,19H2,1-5H3
InChIKeyUSAMEHRUAYOOTQ-UHFFFAOYSA-N
XLogP1.63
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide (CID 59336112) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide is Cc1nc(OCC(=O)N(C)C2CCN(CC(C)C)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The InChIKey is USAMEHRUAYOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12(2)10-23-8-6-15(7-9-23)22(5)16(24)11-25-18-20-13(3)17(19)14(4)21-18/h12,15H,6-11,19H2,1-5H3.
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 59336112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).