6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione

C11H19N3O2 — CID 146025744

IUPAC6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione
SMILESCCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-6-7-14(2)9-8-10(15)13-11(16)12-9/h8H,3-7H2,1-2H3,(H2,12,13,15,16)
InChIKeyBWZLNBMQELZRRW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds6

About 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione

6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione (PubChem CID 146025744) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione
PubChem CID146025744
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione
SMILESCCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-4-5-6-7-14(2)9-8-10(15)13-11(16)12-9/h8H,3-7H2,1-2H3,(H2,12,13,15,16)
InChIKeyBWZLNBMQELZRRW-UHFFFAOYSA-N
XLogP1.08
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[hexyl(methyl)amino]-1H-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-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione (CID 146025744) is 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione is CCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The InChIKey is BWZLNBMQELZRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-5-6-7-14(2)9-8-10(15)13-11(16)12-9/h8H,3-7H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).