6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

C11H15N3O2 — CID 4167075

IUPAC6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(NC2CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O2/c1-3-6-14-9(12-8-4-5-8)7-10(15)13(2)11(14)16/h3,7-8,12H,1,4-6H2,2H3
InChIKeyBGZDLBPPZBXKLB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds4

About 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 4167075) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID4167075
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(NC2CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O2/c1-3-6-14-9(12-8-4-5-8)7-10(15)13(2)11(14)16/h3,7-8,12H,1,4-6H2,2H3
InChIKeyBGZDLBPPZBXKLB-UHFFFAOYSA-N
XLogP0.31
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (CID 4167075) is 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(NC2CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is BGZDLBPPZBXKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-6-14-9(12-8-4-5-8)7-10(15)13(2)11(14)16/h3,7-8,12H,1,4-6H2,2H3.
What are the key properties of 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 4167075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).