6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione

C13H23N5O2 — CID 60965219

IUPAC6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
SMILESCC1CCN(CCNc2c(N)n(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-9-3-6-18(7-4-9)8-5-15-10-11(14)17(2)13(20)16-12(10)19/h9,15H,3-8,14H2,1-2H3,(H,16,19,20)
InChIKeyLPACWZASMXOHAX-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.20
Rot. Bonds4

About 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 60965219) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID60965219
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
SMILESCC1CCN(CCNc2c(N)n(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-9-3-6-18(7-4-9)8-5-15-10-11(14)17(2)13(20)16-12(10)19/h9,15H,3-8,14H2,1-2H3,(H,16,19,20)
InChIKeyLPACWZASMXOHAX-UHFFFAOYSA-N
XLogP-0.20
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione (CID 60965219) is 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione is CC1CCN(CCNc2c(N)n(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is LPACWZASMXOHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9-3-6-18(7-4-9)8-5-15-10-11(14)17(2)13(20)16-12(10)19/h9,15H,3-8,14H2,1-2H3,(H,16,19,20).
What are the key properties of 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 60965219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).