1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione

C13H21N3O2 — CID 66329530

IUPAC1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCNC(C)C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-3-10-8-16(13(18)15-12(10)17)7-6-14-9(2)11-4-5-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyKOSKMEYJPFBRBA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.49
Rot. Bonds6

About 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione

1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66329530) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66329530
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCNC(C)C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-3-10-8-16(13(18)15-12(10)17)7-6-14-9(2)11-4-5-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyKOSKMEYJPFBRBA-UHFFFAOYSA-N
XLogP0.49
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione (CID 66329530) is 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(CCNC(C)C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is KOSKMEYJPFBRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10-8-16(13(18)15-12(10)17)7-6-14-9(2)11-4-5-11/h8-9,11,14H,3-7H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66329530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).