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

C13H23N3O2 — CID 55239196

IUPAC1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCNC(C)C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-5-15-8-6-12(17)16(13(15)18)9-7-14-11(4)10(2)3/h6,8,10-11,14H,5,7,9H2,1-4H3
InChIKeySUIRUWBJYRMFKA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.66
Rot. Bonds6

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

1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 55239196) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione
PubChem CID55239196
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCNC(C)C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-5-15-8-6-12(17)16(13(15)18)9-7-14-11(4)10(2)3/h6,8,10-11,14H,5,7,9H2,1-4H3
InChIKeySUIRUWBJYRMFKA-UHFFFAOYSA-N
XLogP0.66
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione (CID 55239196) is 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione is CCn1ccc(=O)n(CCNC(C)C(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is SUIRUWBJYRMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-15-8-6-12(17)16(13(15)18)9-7-14-11(4)10(2)3/h6,8,10-11,14H,5,7,9H2,1-4H3.
What are the key properties of 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione?
1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55239196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).