1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione

C15H26N4O2 — CID 61240853

IUPAC1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC1CCN(CCNCc2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H26N4O2/c1-12-4-7-19(8-5-12)9-6-16-10-13-11-17(2)15(21)18(3)14(13)20/h11-12,16H,4-10H2,1-3H3
InChIKeyGHUHZRXQEATJSI-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.09
Rot. Bonds5

About 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 61240853) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID61240853
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCC1CCN(CCNCc2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H26N4O2/c1-12-4-7-19(8-5-12)9-6-16-10-13-11-17(2)15(21)18(3)14(13)20/h11-12,16H,4-10H2,1-3H3
InChIKeyGHUHZRXQEATJSI-UHFFFAOYSA-N
XLogP-0.09
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 61240853) is 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione is CC1CCN(CCNCc2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is GHUHZRXQEATJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-4-7-19(8-5-12)9-6-16-10-13-11-17(2)15(21)18(3)14(13)20/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 61240853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).