5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione

C10H15N3O2 — CID 90220584

IUPAC5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESC=C(C)CCNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)3-4-11-5-8-6-12-10(15)13-9(8)14/h6,11H,1,3-5H2,2H3,(H2,12,13,14,15)
InChIKeyDAAZSLDIYNYMJM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.12
Rot. Bonds5

About 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione

5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 90220584) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione
PubChem CID90220584
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESC=C(C)CCNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)3-4-11-5-8-6-12-10(15)13-9(8)14/h6,11H,1,3-5H2,2H3,(H2,12,13,14,15)
InChIKeyDAAZSLDIYNYMJM-UHFFFAOYSA-N
XLogP0.12
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione (CID 90220584) is 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione is C=C(C)CCNCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DAAZSLDIYNYMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)3-4-11-5-8-6-12-10(15)13-9(8)14/h6,11H,1,3-5H2,2H3,(H2,12,13,14,15).
What are the key properties of 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione?
5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylbut-3-enylamino)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90220584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).