5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one

C11H18N4O — CID 115114345

IUPAC5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one
SMILESCN1CCCC(Cn2cnc(=O)c(N)c2)C1
InChIInChI=1S/C11H18N4O/c1-14-4-2-3-9(5-14)6-15-7-10(12)11(16)13-8-15/h7-9H,2-6,12H2,1H3
InChIKeyRZTXXLDJPJYJKY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.17
Rot. Bonds2

About 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one

5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one (PubChem CID 115114345) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one
PubChem CID115114345
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one
SMILESCN1CCCC(Cn2cnc(=O)c(N)c2)C1
InChIInChI=1S/C11H18N4O/c1-14-4-2-3-9(5-14)6-15-7-10(12)11(16)13-8-15/h7-9H,2-6,12H2,1H3
InChIKeyRZTXXLDJPJYJKY-UHFFFAOYSA-N
XLogP0.17
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one (CID 115114345) is 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one is CN1CCCC(Cn2cnc(=O)c(N)c2)C1.
What is the InChIKey of 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
The InChIKey is RZTXXLDJPJYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-4-2-3-9(5-14)6-15-7-10(12)11(16)13-8-15/h7-9H,2-6,12H2,1H3.
What are the key properties of 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one?
5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115114345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).