2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea

C11H20N6O3 — CID 83112782

IUPAC2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
SMILESCCCn1c(N)c(NCCNC(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N6O3/c1-3-6-17-8(12)7(9(18)16(2)11(17)20)14-4-5-15-10(13)19/h14H,3-6,12H2,1-2H3,(H3,13,15,19)
InChIKeyBINLZVVXPRQOFY-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.38
Rot. Bonds6

About 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea

2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea (PubChem CID 83112782) has the molecular formula C11H20N6O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
PubChem CID83112782
Molecular FormulaC11H20N6O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Name2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
SMILESCCCn1c(N)c(NCCNC(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N6O3/c1-3-6-17-8(12)7(9(18)16(2)11(17)20)14-4-5-15-10(13)19/h14H,3-6,12H2,1-2H3,(H3,13,15,19)
InChIKeyBINLZVVXPRQOFY-UHFFFAOYSA-N
XLogP-1.38
TPSA137.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea?
The IUPAC name of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea (CID 83112782) is 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea.
What is the SMILES notation for 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea?
The canonical SMILES for 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea is CCCn1c(N)c(NCCNC(N)=O)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea?
The InChIKey is BINLZVVXPRQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3/c1-3-6-17-8(12)7(9(18)16(2)11(17)20)14-4-5-15-10(13)19/h14H,3-6,12H2,1-2H3,(H3,13,15,19).
What are the key properties of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea?
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea has a molecular weight of 284.32 g/mol, XLogP of -1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea is sourced from PubChem (CID 83112782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).