6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione

C13H16N4O2 — CID 2392273

IUPAC6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione
SMILESCCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19)
InChIKeyDHIDSSFRXLUFLN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.60
Rot. Bonds4

About 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione

6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione (PubChem CID 2392273) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione
PubChem CID2392273
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione
SMILESCCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19)
InChIKeyDHIDSSFRXLUFLN-UHFFFAOYSA-N
XLogP0.60
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione (CID 2392273) is 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione is CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione?
The InChIKey is DHIDSSFRXLUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione?
6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione has a molecular weight of 260.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2392273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).