1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione

C9H11N5O2 — CID 13194073

IUPAC1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCNc1ncc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C9H11N5O2/c1-10-8-11-4-5-6(12-8)13(2)9(16)14(3)7(5)15/h4H,1-3H3,(H,10,11,12)
InChIKeyYJVUPRLDSHBQQQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.93
Rot. Bonds1

About 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione

1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 13194073) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID13194073
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCNc1ncc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C9H11N5O2/c1-10-8-11-4-5-6(12-8)13(2)9(16)14(3)7(5)15/h4H,1-3H3,(H,10,11,12)
InChIKeyYJVUPRLDSHBQQQ-UHFFFAOYSA-N
XLogP-0.93
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione (CID 13194073) is 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione is CNc1ncc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is YJVUPRLDSHBQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-10-8-11-4-5-6(12-8)13(2)9(16)14(3)7(5)15/h4H,1-3H3,(H,10,11,12).
What are the key properties of 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 221.22 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(methylamino)pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 13194073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).