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

C19H31N5O3 — CID 25120842

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC3CCCO3)CC2)nc(C)c1N
InChIInChI=1S/C19H31N5O3/c1-13-18(20)14(2)22-19(21-13)27-12-17(25)23(3)15-6-8-24(9-7-15)11-16-5-4-10-26-16/h15-16H,4-12,20H2,1-3H3
InChIKeyIIDGGBWJPPDKMV-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.16
Rot. Bonds6

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

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 25120842) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID25120842
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC3CCCO3)CC2)nc(C)c1N
InChIInChI=1S/C19H31N5O3/c1-13-18(20)14(2)22-19(21-13)27-12-17(25)23(3)15-6-8-24(9-7-15)11-16-5-4-10-26-16/h15-16H,4-12,20H2,1-3H3
InChIKeyIIDGGBWJPPDKMV-UHFFFAOYSA-N
XLogP1.16
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide (CID 25120842) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide is Cc1nc(OCC(=O)N(C)C2CCN(CC3CCCO3)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is IIDGGBWJPPDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-13-18(20)14(2)22-19(21-13)27-12-17(25)23(3)15-6-8-24(9-7-15)11-16-5-4-10-26-16/h15-16H,4-12,20H2,1-3H3.
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 25120842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).