2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide

C20H27N5O2 — CID 59336167

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(c3ccccc3)CC2)nc(C)c1N
InChIInChI=1S/C20H27N5O2/c1-14-19(21)15(2)23-20(22-14)27-13-18(26)24(3)16-9-11-25(12-10-16)17-7-5-4-6-8-17/h4-8,16H,9-13,21H2,1-3H3
InChIKeyMCQVWBZBKZSVFR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.18
Rot. Bonds5

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide (PubChem CID 59336167) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide
PubChem CID59336167
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(c3ccccc3)CC2)nc(C)c1N
InChIInChI=1S/C20H27N5O2/c1-14-19(21)15(2)23-20(22-14)27-13-18(26)24(3)16-9-11-25(12-10-16)17-7-5-4-6-8-17/h4-8,16H,9-13,21H2,1-3H3
InChIKeyMCQVWBZBKZSVFR-UHFFFAOYSA-N
XLogP2.18
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.18
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-phenylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide (CID 59336167) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide is Cc1nc(OCC(=O)N(C)C2CCN(c3ccccc3)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide?
The InChIKey is MCQVWBZBKZSVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-19(21)15(2)23-20(22-14)27-13-18(26)24(3)16-9-11-25(12-10-16)17-7-5-4-6-8-17/h4-8,16H,9-13,21H2,1-3H3.
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-(1-phenylpiperidin-4-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.18, 5 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-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 59336167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).