6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione

C15H19N3O2 — CID 131861463

IUPAC6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione
SMILESCC(C)CCC1(c2ccccc2)C(=O)NC(=O)N=C1N
InChIInChI=1S/C15H19N3O2/c1-10(2)8-9-15(11-6-4-3-5-7-11)12(16)17-14(20)18-13(15)19/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyCSXVYLUACPQGEW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.97
Rot. Bonds4

About 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione

6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione (PubChem CID 131861463) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione
PubChem CID131861463
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione
SMILESCC(C)CCC1(c2ccccc2)C(=O)NC(=O)N=C1N
InChIInChI=1S/C15H19N3O2/c1-10(2)8-9-15(11-6-4-3-5-7-11)12(16)17-14(20)18-13(15)19/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyCSXVYLUACPQGEW-UHFFFAOYSA-N
XLogP1.97
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione (CID 131861463) is 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione is CC(C)CCC1(c2ccccc2)C(=O)NC(=O)N=C1N.
What is the InChIKey of 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione?
The InChIKey is CSXVYLUACPQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)8-9-15(11-6-4-3-5-7-11)12(16)17-14(20)18-13(15)19/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione?
6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-methylbutyl)-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 131861463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).