6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C14H25N3O2 — CID 91577200

IUPAC6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(CCC(C)CN)cc(=O)n(C)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)9-17-12(6-5-11(3)8-15)7-13(18)16(4)14(17)19/h7,10-11H,5-6,8-9,15H2,1-4H3
InChIKeyWMNIRGZYFNYVGI-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.73
Rot. Bonds6

About 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 91577200) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID91577200
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(CCC(C)CN)cc(=O)n(C)c1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)9-17-12(6-5-11(3)8-15)7-13(18)16(4)14(17)19/h7,10-11H,5-6,8-9,15H2,1-4H3
InChIKeyWMNIRGZYFNYVGI-UHFFFAOYSA-N
XLogP0.73
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 91577200) is 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(CCC(C)CN)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is WMNIRGZYFNYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)9-17-12(6-5-11(3)8-15)7-13(18)16(4)14(17)19/h7,10-11H,5-6,8-9,15H2,1-4H3.
What are the key properties of 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-methylbutyl)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91577200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).