6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione

C15H20N4O3 — CID 8850853

IUPAC6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CCOc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3/c1-3-19-13(16)12(14(20)17-15(19)21)18(2)9-10-22-11-7-5-4-6-8-11/h4-8H,3,9-10,16H2,1-2H3,(H,17,20,21)
InChIKeyNLBPLUIGYDBAFT-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.65
Rot. Bonds6

About 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione (PubChem CID 8850853) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
PubChem CID8850853
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CCOc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3/c1-3-19-13(16)12(14(20)17-15(19)21)18(2)9-10-22-11-7-5-4-6-8-11/h4-8H,3,9-10,16H2,1-2H3,(H,17,20,21)
InChIKeyNLBPLUIGYDBAFT-UHFFFAOYSA-N
XLogP0.65
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione (CID 8850853) is 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione is CCn1c(N)c(N(C)CCOc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
The InChIKey is NLBPLUIGYDBAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-19-13(16)12(14(20)17-15(19)21)18(2)9-10-22-11-7-5-4-6-8-11/h4-8H,3,9-10,16H2,1-2H3,(H,17,20,21).
What are the key properties of 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 8850853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).