5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C16H25N5O — CID 134710911

IUPAC5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1cc(NC2CCC(=O)N(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C16H25N5O/c1-3-12-10-14(17-13-6-7-15(22)20(2)11-13)19-16(18-12)21-8-4-5-9-21/h10,13H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyOOHNQQICUOPFRT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.67
Rot. Bonds4

About 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 134710911) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID134710911
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1cc(NC2CCC(=O)N(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C16H25N5O/c1-3-12-10-14(17-13-6-7-15(22)20(2)11-13)19-16(18-12)21-8-4-5-9-21/h10,13H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyOOHNQQICUOPFRT-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 134710911) is 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CCc1cc(NC2CCC(=O)N(C)C2)nc(N2CCCC2)n1.
What is the InChIKey of 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is OOHNQQICUOPFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-12-10-14(17-13-6-7-15(22)20(2)11-13)19-16(18-12)21-8-4-5-9-21/h10,13H,3-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 134710911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).