5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione

C11H18N4O2 — CID 115114602

IUPAC5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
SMILESNCc1cn(CC2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-5-9-7-15(11(17)14-10(9)16)6-8-1-3-13-4-2-8/h7-8,13H,1-6,12H2,(H,14,16,17)
InChIKeyLFQWGRUSNZTTMI-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.01
Rot. Bonds3

About 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione

5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 115114602) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID115114602
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
SMILESNCc1cn(CC2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-5-9-7-15(11(17)14-10(9)16)6-8-1-3-13-4-2-8/h7-8,13H,1-6,12H2,(H,14,16,17)
InChIKeyLFQWGRUSNZTTMI-UHFFFAOYSA-N
XLogP-1.01
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione (CID 115114602) is 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione is NCc1cn(CC2CCNCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is LFQWGRUSNZTTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-5-9-7-15(11(17)14-10(9)16)6-8-1-3-13-4-2-8/h7-8,13H,1-6,12H2,(H,14,16,17).
What are the key properties of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115114602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).