1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione

C17H24N4O3 — CID 10449439

IUPAC1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione
SMILESCn1c(NCCNCCCOc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3/c1-20-15(13-16(22)21(2)17(20)23)19-11-10-18-9-6-12-24-14-7-4-3-5-8-14/h3-5,7-8,13,18-19H,6,9-12H2,1-2H3
InChIKeyHEFSWNYXBXRYNF-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.55
Rot. Bonds9

About 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione

1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione (PubChem CID 10449439) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione
PubChem CID10449439
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione
SMILESCn1c(NCCNCCCOc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3/c1-20-15(13-16(22)21(2)17(20)23)19-11-10-18-9-6-12-24-14-7-4-3-5-8-14/h3-5,7-8,13,18-19H,6,9-12H2,1-2H3
InChIKeyHEFSWNYXBXRYNF-UHFFFAOYSA-N
XLogP0.55
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione (CID 10449439) is 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione is Cn1c(NCCNCCCOc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione?
The InChIKey is HEFSWNYXBXRYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-15(13-16(22)21(2)17(20)23)19-11-10-18-9-6-12-24-14-7-4-3-5-8-14/h3-5,7-8,13,18-19H,6,9-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione?
1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 10449439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).