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

C10H17N3O2 — CID 106934083

IUPAC3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1ccc(=O)n(CCN)c1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)7-12-5-3-9(14)13(6-4-11)10(12)15/h3,5,8H,4,6-7,11H2,1-2H3
InChIKeyMOANXIBPNVAVBS-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.38
Rot. Bonds4

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

3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 106934083) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID106934083
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1ccc(=O)n(CCN)c1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)7-12-5-3-9(14)13(6-4-11)10(12)15/h3,5,8H,4,6-7,11H2,1-2H3
InChIKeyMOANXIBPNVAVBS-UHFFFAOYSA-N
XLogP-0.38
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
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-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
CID 106934090
3-(2-aminoethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 106934140
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
4-(aminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 83489242
3-(2-aminoethyl)-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 106934183
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 106934083) is 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1ccc(=O)n(CCN)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is MOANXIBPNVAVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)7-12-5-3-9(14)13(6-4-11)10(12)15/h3,5,8H,4,6-7,11H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione?
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106934083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).