2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

C20H32N4O2 — CID 70753175

IUPAC2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C20H32N4O2/c1-5-20(3,4)19(25)24-8-6-7-16(14-24)17-13-18(22-15(2)21-17)23-9-11-26-12-10-23/h13,16H,5-12,14H2,1-4H3
InChIKeyVRUOKDAXQWCHJB-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.76
Rot. Bonds4

About 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 70753175) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
PubChem CID70753175
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C20H32N4O2/c1-5-20(3,4)19(25)24-8-6-7-16(14-24)17-13-18(22-15(2)21-17)23-9-11-26-12-10-23/h13,16H,5-12,14H2,1-4H3
InChIKeyVRUOKDAXQWCHJB-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (CID 70753175) is 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is CCC(C)(C)C(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is VRUOKDAXQWCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-20(3,4)19(25)24-8-6-7-16(14-24)17-13-18(22-15(2)21-17)23-9-11-26-12-10-23/h13,16H,5-12,14H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70753175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).