6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione

C15H19N3O2 — CID 90489804

IUPAC6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(=O)cc(NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-15(2,3)18-13(19)9-12(17-14(18)20)16-10-11-7-5-4-6-8-11/h4-9,16H,10H2,1-3H3,(H,17,20)
InChIKeyAPZGQTDSRUILKL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds3

About 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione

6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione (PubChem CID 90489804) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
PubChem CID90489804
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)n1c(=O)cc(NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-15(2,3)18-13(19)9-12(17-14(18)20)16-10-11-7-5-4-6-8-11/h4-9,16H,10H2,1-3H3,(H,17,20)
InChIKeyAPZGQTDSRUILKL-UHFFFAOYSA-N
XLogP1.90
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione (CID 90489804) is 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione is CC(C)(C)n1c(=O)cc(NCc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione?
The InChIKey is APZGQTDSRUILKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)18-13(19)9-12(17-14(18)20)16-10-11-7-5-4-6-8-11/h4-9,16H,10H2,1-3H3,(H,17,20).
What are the key properties of 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione?
6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90489804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).