7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione

C11H15N5O2 — CID 14854880

IUPAC7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cnc(N)nc21
InChIInChI=1S/C11H15N5O2/c1-6(2)5-16-8-7(4-13-10(12)14-8)9(17)15(3)11(16)18/h4,6H,5H2,1-3H3,(H2,12,13,14)
InChIKeyKJHHXXCXUGNUAJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.27
Rot. Bonds2

About 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione

7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 14854880) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID14854880
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cnc(N)nc21
InChIInChI=1S/C11H15N5O2/c1-6(2)5-16-8-7(4-13-10(12)14-8)9(17)15(3)11(16)18/h4,6H,5H2,1-3H3,(H2,12,13,14)
InChIKeyKJHHXXCXUGNUAJ-UHFFFAOYSA-N
XLogP-0.27
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione (CID 14854880) is 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2cnc(N)nc21.
What is the InChIKey of 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is KJHHXXCXUGNUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6(2)5-16-8-7(4-13-10(12)14-8)9(17)15(3)11(16)18/h4,6H,5H2,1-3H3,(H2,12,13,14).
What are the key properties of 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-1-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14854880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).