6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione

C9H15N3O2 — CID 91066697

IUPAC6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)cc(CN)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-6(2)12-8(13)4-7(5-10)11-9(12)14/h4,6H,3,5,10H2,1-2H3,(H,11,14)
InChIKeyHDYLEBMAAIMJIS-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.03
Rot. Bonds3

About 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione

6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 91066697) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID91066697
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)cc(CN)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-6(2)12-8(13)4-7(5-10)11-9(12)14/h4,6H,3,5,10H2,1-2H3,(H,11,14)
InChIKeyHDYLEBMAAIMJIS-UHFFFAOYSA-N
XLogP-0.03
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione (CID 91066697) is 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione is CCC(C)n1c(=O)cc(CN)[nH]c1=O.
What is the InChIKey of 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is HDYLEBMAAIMJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6(2)12-8(13)4-7(5-10)11-9(12)14/h4,6H,3,5,10H2,1-2H3,(H,11,14).
What are the key properties of 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione?
6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-butan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91066697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).