5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione

C9H15N3O2 — CID 76998639

IUPAC5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione
SMILESCCNCC1=NC(=O)C(CC)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5-10-4-2)12-9(6)14/h6,10H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyCQEQTRIGNINOKB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds4

About 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione

5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione (PubChem CID 76998639) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione
PubChem CID76998639
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione
SMILESCCNCC1=NC(=O)C(CC)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5-10-4-2)12-9(6)14/h6,10H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyCQEQTRIGNINOKB-UHFFFAOYSA-N
XLogP-0.32
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione (CID 76998639) is 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione is CCNCC1=NC(=O)C(CC)C(=O)N1.
What is the InChIKey of 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is CQEQTRIGNINOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5-10-4-2)12-9(6)14/h6,10H,3-5H2,1-2H3,(H,11,12,13,14).
What are the key properties of 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione?
5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(ethylaminomethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).