6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione

C17H23FN4O3 — CID 17452381

IUPAC6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CCOc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C17H23FN4O3/c1-3-4-9-22-15(19)14(16(23)20-17(22)24)21(2)10-11-25-13-8-6-5-7-12(13)18/h5-8H,3-4,9-11,19H2,1-2H3,(H,20,23,24)
InChIKeyXIVMQMBBANQUKR-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.57
Rot. Bonds8

About 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione (PubChem CID 17452381) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione
PubChem CID17452381
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CCOc2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C17H23FN4O3/c1-3-4-9-22-15(19)14(16(23)20-17(22)24)21(2)10-11-25-13-8-6-5-7-12(13)18/h5-8H,3-4,9-11,19H2,1-2H3,(H,20,23,24)
InChIKeyXIVMQMBBANQUKR-UHFFFAOYSA-N
XLogP1.57
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione (CID 17452381) is 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)CCOc2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is XIVMQMBBANQUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-3-4-9-22-15(19)14(16(23)20-17(22)24)21(2)10-11-25-13-8-6-5-7-12(13)18/h5-8H,3-4,9-11,19H2,1-2H3,(H,20,23,24).
What are the key properties of 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 350.39 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 17452381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).