7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione

C9H11N5O2 — CID 137003193

IUPAC7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione
SMILESCN(C)c1nc2nc(=O)n(C)cc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O2/c1-13(2)8-10-6-5(7(15)12-8)4-14(3)9(16)11-6/h4H,1-3H3,(H,10,11,12,15,16)
InChIKeyAUYSPYGWPYWZCD-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.92
Rot. Bonds1

About 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione

7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione (PubChem CID 137003193) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione
PubChem CID137003193
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione
SMILESCN(C)c1nc2nc(=O)n(C)cc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O2/c1-13(2)8-10-6-5(7(15)12-8)4-14(3)9(16)11-6/h4H,1-3H3,(H,10,11,12,15,16)
InChIKeyAUYSPYGWPYWZCD-UHFFFAOYSA-N
XLogP-0.92
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione?
The IUPAC name of 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione (CID 137003193) is 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione.
What is the SMILES notation for 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione?
The canonical SMILES for 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione is CN(C)c1nc2nc(=O)n(C)cc2c(=O)[nH]1.
What is the InChIKey of 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione?
The InChIKey is AUYSPYGWPYWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-13(2)8-10-6-5(7(15)12-8)4-14(3)9(16)11-6/h4H,1-3H3,(H,10,11,12,15,16).
What are the key properties of 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione?
7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione has a molecular weight of 221.22 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione is sourced from PubChem (CID 137003193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).