6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione

C9H15N3O2 — CID 4637181

IUPAC6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-5-10-7-6-8(13)12(2)9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyGHIMUBPILIRZJH-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.29
Rot. Bonds4

About 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione

6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 4637181) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID4637181
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-5-10-7-6-8(13)12(2)9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyGHIMUBPILIRZJH-UHFFFAOYSA-N
XLogP0.29
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 4637181) is 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione is CCCCNc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is GHIMUBPILIRZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-5-10-7-6-8(13)12(2)9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione?
6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4637181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).