6-amino-1-butyl-3-methylpyrimidine-2,4-dione

C9H15N3O2 — CID 2357152

IUPAC6-amino-1-butyl-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)cc(=O)n(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-4-5-12-7(10)6-8(13)11(2)9(12)14/h6H,3-5,10H2,1-2H3
InChIKeyMKJULKCPESFFJU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.07
Rot. Bonds3

About 6-amino-1-butyl-3-methylpyrimidine-2,4-dione

6-amino-1-butyl-3-methylpyrimidine-2,4-dione (PubChem CID 2357152) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-amino-1-butyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-3-methylpyrimidine-2,4-dione
PubChem CID2357152
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-amino-1-butyl-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)cc(=O)n(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-4-5-12-7(10)6-8(13)11(2)9(12)14/h6H,3-5,10H2,1-2H3
InChIKeyMKJULKCPESFFJU-UHFFFAOYSA-N
XLogP-0.07
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-3-methylpyrimidine-2,4-dione (CID 2357152) is 6-amino-1-butyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-3-methylpyrimidine-2,4-dione is CCCCn1c(N)cc(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-3-methylpyrimidine-2,4-dione?
The InChIKey is MKJULKCPESFFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-5-12-7(10)6-8(13)11(2)9(12)14/h6H,3-5,10H2,1-2H3.
What are the key properties of 6-amino-1-butyl-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-3-methylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2357152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).