4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde

C10H15N3O3 — CID 2461611

IUPAC4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCC(C)Cn1c(N)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-6(2)4-13-8(11)7(5-14)9(15)12(3)10(13)16/h5-6H,4,11H2,1-3H3
InChIKeyYQEUPOYACKBOGQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.40
Rot. Bonds3

About 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde

4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde (PubChem CID 2461611) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
PubChem CID2461611
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCC(C)Cn1c(N)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-6(2)4-13-8(11)7(5-14)9(15)12(3)10(13)16/h5-6H,4,11H2,1-3H3
InChIKeyYQEUPOYACKBOGQ-UHFFFAOYSA-N
XLogP-0.40
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde (CID 2461611) is 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde is CC(C)Cn1c(N)c(C=O)c(=O)n(C)c1=O.
What is the InChIKey of 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The InChIKey is YQEUPOYACKBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)4-13-8(11)7(5-14)9(15)12(3)10(13)16/h5-6H,4,11H2,1-3H3.
What are the key properties of 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde has a molecular weight of 225.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 2461611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).