6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione

C11H20N4O2 — CID 54954371

IUPAC6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione
SMILESCCC(Nc1c(N)n(C)c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C11H20N4O2/c1-5-7(6(2)3)13-8-9(12)15(4)11(17)14-10(8)16/h6-7,13H,5,12H2,1-4H3,(H,14,16,17)
InChIKeyLZQAMXSJYSYXHG-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.50
Rot. Bonds4

About 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione (PubChem CID 54954371) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione
PubChem CID54954371
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione
SMILESCCC(Nc1c(N)n(C)c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C11H20N4O2/c1-5-7(6(2)3)13-8-9(12)15(4)11(17)14-10(8)16/h6-7,13H,5,12H2,1-4H3,(H,14,16,17)
InChIKeyLZQAMXSJYSYXHG-UHFFFAOYSA-N
XLogP0.50
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione (CID 54954371) is 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione is CCC(Nc1c(N)n(C)c(=O)[nH]c1=O)C(C)C.
What is the InChIKey of 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione?
The InChIKey is LZQAMXSJYSYXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-7(6(2)3)13-8-9(12)15(4)11(17)14-10(8)16/h6-7,13H,5,12H2,1-4H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(2-methylpentan-3-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54954371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).