6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione

C7H10N4O2 — CID 67752142

IUPAC6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione
SMILESCC1C=NC2NC(=O)NC(=O)C2N1
InChIInChI=1S/C7H10N4O2/c1-3-2-8-5-4(9-3)6(12)11-7(13)10-5/h2-5,9H,1H3,(H2,10,11,12,13)
InChIKeyOPYGCWZWSAHVQO-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.42
Rot. Bonds

About 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione

6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione (PubChem CID 67752142) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione
PubChem CID67752142
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione
SMILESCC1C=NC2NC(=O)NC(=O)C2N1
InChIInChI=1S/C7H10N4O2/c1-3-2-8-5-4(9-3)6(12)11-7(13)10-5/h2-5,9H,1H3,(H2,10,11,12,13)
InChIKeyOPYGCWZWSAHVQO-UHFFFAOYSA-N
XLogP-1.42
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione?
The IUPAC name of 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione (CID 67752142) is 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione.
What is the SMILES notation for 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione?
The canonical SMILES for 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione is CC1C=NC2NC(=O)NC(=O)C2N1.
What is the InChIKey of 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione?
The InChIKey is OPYGCWZWSAHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-3-2-8-5-4(9-3)6(12)11-7(13)10-5/h2-5,9H,1H3,(H2,10,11,12,13).
What are the key properties of 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione?
6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione is sourced from PubChem (CID 67752142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).