2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide

C19H29N5O3 — CID 59336116

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(C(=O)C3CCC3)CC2)nc(C)c1N
InChIInChI=1S/C19H29N5O3/c1-12-17(20)13(2)22-19(21-12)27-11-16(25)23(3)15-7-9-24(10-8-15)18(26)14-5-4-6-14/h14-15H,4-11,20H2,1-3H3
InChIKeyLFVRGBXXNJHDOW-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.30
Rot. Bonds5

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 59336116) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide
PubChem CID59336116
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(C(=O)C3CCC3)CC2)nc(C)c1N
InChIInChI=1S/C19H29N5O3/c1-12-17(20)13(2)22-19(21-12)27-11-16(25)23(3)15-7-9-24(10-8-15)18(26)14-5-4-6-14/h14-15H,4-11,20H2,1-3H3
InChIKeyLFVRGBXXNJHDOW-UHFFFAOYSA-N
XLogP1.30
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.30
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-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide (CID 59336116) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide is Cc1nc(OCC(=O)N(C)C2CCN(C(=O)C3CCC3)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is LFVRGBXXNJHDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12-17(20)13(2)22-19(21-12)27-11-16(25)23(3)15-7-9-24(10-8-15)18(26)14-5-4-6-14/h14-15H,4-11,20H2,1-3H3.
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 375.47 g/mol, XLogP of 1.30, 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-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 59336116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).