3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione

C11H19N3O2 — CID 106933852

IUPAC3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C11H19N3O2/c1-9(2)8-13-7-4-10(15)14(11(13)16)6-3-5-12/h4,7,9H,3,5-6,8,12H2,1-2H3
InChIKeyKGNNEFYKLQNEBS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.01
Rot. Bonds5

About 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione

3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 106933852) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID106933852
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C11H19N3O2/c1-9(2)8-13-7-4-10(15)14(11(13)16)6-3-5-12/h4,7,9H,3,5-6,8,12H2,1-2H3
InChIKeyKGNNEFYKLQNEBS-UHFFFAOYSA-N
XLogP0.01
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 106933888
3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106933750
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 106933852) is 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1ccc(=O)n(CCCN)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is KGNNEFYKLQNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)8-13-7-4-10(15)14(11(13)16)6-3-5-12/h4,7,9H,3,5-6,8,12H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106933852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).