6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione

C13H18N4O4 — CID 62525076

IUPAC6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCc2ccc(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O4/c1-8-3-4-9(21-8)7-15-10-11(14)17(5-6-20-2)13(19)16-12(10)18/h3-4,15H,5-7,14H2,1-2H3,(H,16,18,19)
InChIKeyOGXYCCIFIFUGLF-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.28
Rot. Bonds6

About 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 62525076) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
PubChem CID62525076
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCc2ccc(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O4/c1-8-3-4-9(21-8)7-15-10-11(14)17(5-6-20-2)13(19)16-12(10)18/h3-4,15H,5-7,14H2,1-2H3,(H,16,18,19)
InChIKeyOGXYCCIFIFUGLF-UHFFFAOYSA-N
XLogP0.28
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione (CID 62525076) is 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione is COCCn1c(N)c(NCc2ccc(C)o2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is OGXYCCIFIFUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-3-4-9(21-8)7-15-10-11(14)17(5-6-20-2)13(19)16-12(10)18/h3-4,15H,5-7,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 62525076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).