6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione

C19H28N4O2 — CID 67689767

IUPAC6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc(N)cc1
InChIInChI=1S/C19H28N4O2/c1-4-23(13-11-15-7-9-16(20)10-8-15)12-5-6-17-14-18(24)22(3)19(25)21(17)2/h7-10,14H,4-6,11-13,20H2,1-3H3
InChIKeyJZOSZLTXVAFFAP-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.16
Rot. Bonds8

About 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione

6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 67689767) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID67689767
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc(N)cc1
InChIInChI=1S/C19H28N4O2/c1-4-23(13-11-15-7-9-16(20)10-8-15)12-5-6-17-14-18(24)22(3)19(25)21(17)2/h7-10,14H,4-6,11-13,20H2,1-3H3
InChIKeyJZOSZLTXVAFFAP-UHFFFAOYSA-N
XLogP1.16
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione (CID 67689767) is 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione is CCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc(N)cc1.
What is the InChIKey of 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JZOSZLTXVAFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-23(13-11-15-7-9-16(20)10-8-15)12-5-6-17-14-18(24)22(3)19(25)21(17)2/h7-10,14H,4-6,11-13,20H2,1-3H3.
What are the key properties of 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.46 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67689767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).