1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one

C15H23N5O — CID 126887809

IUPAC1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(C3CCN(C)C3=O)CC2)ncn1
InChIInChI=1S/C15H23N5O/c1-11-9-14(17-10-16-11)18-12-3-7-20(8-4-12)13-5-6-19(2)15(13)21/h9-10,12-13H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLMHABKIPKXWFDQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds3

About 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one

1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one (PubChem CID 126887809) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
PubChem CID126887809
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(C3CCN(C)C3=O)CC2)ncn1
InChIInChI=1S/C15H23N5O/c1-11-9-14(17-10-16-11)18-12-3-7-20(8-4-12)13-5-6-19(2)15(13)21/h9-10,12-13H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLMHABKIPKXWFDQ-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one (CID 126887809) is 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one is Cc1cc(NC2CCN(C3CCN(C)C3=O)CC2)ncn1.
What is the InChIKey of 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is LMHABKIPKXWFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-9-14(17-10-16-11)18-12-3-7-20(8-4-12)13-5-6-19(2)15(13)21/h9-10,12-13H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 126887809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).