6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione

C10H15N3O2 — CID 150673047

IUPAC6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione
SMILESC=C(C)CCc1c(CN)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6(2)3-4-7-8(5-11)12-10(15)13-9(7)14/h1,3-5,11H2,2H3,(H2,12,13,14,15)
InChIKeyJGGUUSTXXNDZME-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.03
Rot. Bonds4

About 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione

6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 150673047) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione
PubChem CID150673047
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione
SMILESC=C(C)CCc1c(CN)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6(2)3-4-7-8(5-11)12-10(15)13-9(7)14/h1,3-5,11H2,2H3,(H2,12,13,14,15)
InChIKeyJGGUUSTXXNDZME-UHFFFAOYSA-N
XLogP0.03
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione (CID 150673047) is 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione is C=C(C)CCc1c(CN)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JGGUUSTXXNDZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)3-4-7-8(5-11)12-10(15)13-9(7)14/h1,3-5,11H2,2H3,(H2,12,13,14,15).
What are the key properties of 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione?
6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(3-methylbut-3-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150673047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).