1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione

C12H19N3O2 — CID 66330717

IUPAC1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCCNC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-9-8-15(12(17)14-11(9)16)7-3-6-13-10-4-5-10/h8,10,13H,2-7H2,1H3,(H,14,16,17)
InChIKeyWBBISBWEXHEWJN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.24
Rot. Bonds6

About 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione

1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66330717) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66330717
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCCNC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-9-8-15(12(17)14-11(9)16)7-3-6-13-10-4-5-10/h8,10,13H,2-7H2,1H3,(H,14,16,17)
InChIKeyWBBISBWEXHEWJN-UHFFFAOYSA-N
XLogP0.24
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-[3-(cyclopentylamino)propyl]pyrimidine-2,4-dione
CID 63777627
5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione
CID 66327971
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 66330325
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
CID 105061182
5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione
CID 66327962
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
1-[3-(cyclohexylamino)propyl]-3-ethylimidazol-2-one
CID 80582495
3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one
CID 63312459

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione (CID 66330717) is 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(CCCNC2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is WBBISBWEXHEWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-9-8-15(12(17)14-11(9)16)7-3-6-13-10-4-5-10/h8,10,13H,2-7H2,1H3,(H,14,16,17).
What are the key properties of 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione?
1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66330717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).