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

C16H25N5O — CID 45229806

IUPAC1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1nc(CN)cc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C16H25N5O/c1-12-18-14(10-17)9-15(19-12)20-7-4-13(5-8-20)11-21-6-2-3-16(21)22/h9,13H,2-8,10-11,17H2,1H3
InChIKeyZPEYHRXYOKDOQV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.08
Rot. Bonds4

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

1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 45229806) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID45229806
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1nc(CN)cc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C16H25N5O/c1-12-18-14(10-17)9-15(19-12)20-7-4-13(5-8-20)11-21-6-2-3-16(21)22/h9,13H,2-8,10-11,17H2,1H3
InChIKeyZPEYHRXYOKDOQV-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 45229806) is 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is Cc1nc(CN)cc(N2CCC(CN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZPEYHRXYOKDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-18-14(10-17)9-15(19-12)20-7-4-13(5-8-20)11-21-6-2-3-16(21)22/h9,13H,2-8,10-11,17H2,1H3.
What are the key properties of 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45229806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).