7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

C10H13N5O3 — CID 136702966

IUPAC7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCN(C)c1nc2c(c(=O)[nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H13N5O3/c1-13(2)9-11-6-5(7(16)12-9)8(17)15(4)10(18)14(6)3/h1-4H3,(H,11,12,16)
InChIKeyIHTVUTALESHMIC-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.61
Rot. Bonds1

About 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 136702966) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID136702966
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCN(C)c1nc2c(c(=O)[nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H13N5O3/c1-13(2)9-11-6-5(7(16)12-9)8(17)15(4)10(18)14(6)3/h1-4H3,(H,11,12,16)
InChIKeyIHTVUTALESHMIC-UHFFFAOYSA-N
XLogP-1.61
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 136702966) is 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is CN(C)c1nc2c(c(=O)[nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is IHTVUTALESHMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-13(2)9-11-6-5(7(16)12-9)8(17)15(4)10(18)14(6)3/h1-4H3,(H,11,12,16).
What are the key properties of 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 251.25 g/mol, XLogP of -1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 136702966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).