5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione

C11H19N3O2 — CID 63799731

IUPAC5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
SMILESCCCC(C)Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-8(2)6-14-10(15)9(12)7-13(3)11(14)16/h7-8H,4-6,12H2,1-3H3
InChIKeyVTFYYXGMKQSYSQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.57
Rot. Bonds4

About 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione

5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione (PubChem CID 63799731) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
PubChem CID63799731
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
SMILESCCCC(C)Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-8(2)6-14-10(15)9(12)7-13(3)11(14)16/h7-8H,4-6,12H2,1-3H3
InChIKeyVTFYYXGMKQSYSQ-UHFFFAOYSA-N
XLogP0.57
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione (CID 63799731) is 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione is CCCC(C)Cn1c(=O)c(N)cn(C)c1=O.
What is the InChIKey of 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione?
The InChIKey is VTFYYXGMKQSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-8(2)6-14-10(15)9(12)7-13(3)11(14)16/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione?
5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63799731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).