6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione

C11H20N4O2 — CID 2363721

IUPAC6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCC)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-3-5-7-15-9(12)8(13-6-4-2)10(16)14-11(15)17/h13H,3-7,12H2,1-2H3,(H,14,16,17)
InChIKeyUMNZSXZJKZGUQU-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.74
Rot. Bonds6

About 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione (PubChem CID 2363721) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione
PubChem CID2363721
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCC)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-3-5-7-15-9(12)8(13-6-4-2)10(16)14-11(15)17/h13H,3-7,12H2,1-2H3,(H,14,16,17)
InChIKeyUMNZSXZJKZGUQU-UHFFFAOYSA-N
XLogP0.74
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione (CID 2363721) is 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCCC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione?
The InChIKey is UMNZSXZJKZGUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-5-7-15-9(12)8(13-6-4-2)10(16)14-11(15)17/h13H,3-7,12H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(propylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2363721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).