2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

C8H13N3O2 — CID 79501391

IUPAC2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(CCN)NC1=O
InChIInChI=1S/C8H13N3O2/c1-8(2)6(12)10-5(3-4-9)11-7(8)13/h3-4,9H2,1-2H3,(H,10,11,12,13)
InChIKeyCVIQBJOBSTUQTR-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.58
Rot. Bonds2

About 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (PubChem CID 79501391) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
PubChem CID79501391
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(CCN)NC1=O
InChIInChI=1S/C8H13N3O2/c1-8(2)6(12)10-5(3-4-9)11-7(8)13/h3-4,9H2,1-2H3,(H,10,11,12,13)
InChIKeyCVIQBJOBSTUQTR-UHFFFAOYSA-N
XLogP-0.58
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.58
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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Related Compounds

2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550516
2-(1-amino-2,2-dimethylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550724
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
2-(2-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550981
2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (CID 79501391) is 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is CC1(C)C(=O)N=C(CCN)NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The InChIKey is CVIQBJOBSTUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2)6(12)10-5(3-4-9)11-7(8)13/h3-4,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione has a molecular weight of 183.21 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).