1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione

C13H23N3O2 — CID 63811359

IUPAC1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
SMILESCCCCCNCCn1c(=O)ccn(CC)c1=O
InChIInChI=1S/C13H23N3O2/c1-3-5-6-8-14-9-11-16-12(17)7-10-15(4-2)13(16)18/h7,10,14H,3-6,8-9,11H2,1-2H3
InChIKeyDOKFYZIWKXQESB-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.81
Rot. Bonds8

About 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione

1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 63811359) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
PubChem CID63811359
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
SMILESCCCCCNCCn1c(=O)ccn(CC)c1=O
InChIInChI=1S/C13H23N3O2/c1-3-5-6-8-14-9-11-16-12(17)7-10-15(4-2)13(16)18/h7,10,14H,3-6,8-9,11H2,1-2H3
InChIKeyDOKFYZIWKXQESB-UHFFFAOYSA-N
XLogP0.81
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
CID 63810571
1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione
CID 55239196
3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63811217
3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812363
3-[2-(4-bromoanilino)ethyl]-1-ethylpyrimidine-2,4-dione
CID 63812354
1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 63811354
1-ethyl-3-(3-ethylsulfonylpropyl)pyrimidine-2,4-dione
CID 65097190
3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63812517
1-[2-(pentylamino)ethyl]pyridin-4-one
CID 62881028
4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide
CID 63892960
N-ethyl-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanamide
CID 63811070

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione (CID 63811359) is 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione is CCCCCNCCn1c(=O)ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is DOKFYZIWKXQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-6-8-14-9-11-16-12(17)7-10-15(4-2)13(16)18/h7,10,14H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione?
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63811359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).