7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

C7H7N5O3 — CID 167213255

IUPAC7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCn1c(=O)[nH]c(=O)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7N5O3/c1-12-3-2(5(14)11-7(12)15)4(13)10-6(8)9-3/h1H3,(H,11,14,15)(H3,8,9,10,13)
InChIKeyAEINBMAHQXVRCQ-UHFFFAOYSA-N
MW209.16 g/mol
LogP-2.11
Rot. Bonds

About 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 167213255) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID167213255
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Name7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCn1c(=O)[nH]c(=O)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7N5O3/c1-12-3-2(5(14)11-7(12)15)4(13)10-6(8)9-3/h1H3,(H,11,14,15)(H3,8,9,10,13)
InChIKeyAEINBMAHQXVRCQ-UHFFFAOYSA-N
XLogP-2.11
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 167213255) is 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is Cn1c(=O)[nH]c(=O)c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is AEINBMAHQXVRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c1-12-3-2(5(14)11-7(12)15)4(13)10-6(8)9-3/h1H3,(H,11,14,15)(H3,8,9,10,13).
What are the key properties of 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 209.16 g/mol, XLogP of -2.11, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 167213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).