1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione

C7H10N4O2 — CID 70269971

IUPAC1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione
SMILESCN1C(=O)NC(=O)C2NCCN=C21
InChIInChI=1S/C7H10N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h4,8H,2-3H2,1H3,(H,10,12,13)
InChIKeyKVZJVHRBAVDLHC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.46
Rot. Bonds

About 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione

1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione (PubChem CID 70269971) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione.

Molecular Properties

Compound Name1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione
PubChem CID70269971
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione
SMILESCN1C(=O)NC(=O)C2NCCN=C21
InChIInChI=1S/C7H10N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h4,8H,2-3H2,1H3,(H,10,12,13)
InChIKeyKVZJVHRBAVDLHC-UHFFFAOYSA-N
XLogP-1.46
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione?
The IUPAC name of 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione (CID 70269971) is 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione.
What is the SMILES notation for 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione?
The canonical SMILES for 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione is CN1C(=O)NC(=O)C2NCCN=C21.
What is the InChIKey of 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione?
The InChIKey is KVZJVHRBAVDLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h4,8H,2-3H2,1H3,(H,10,12,13).
What are the key properties of 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione?
1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4a,5,6,7-tetrahydropteridine-2,4-dione is sourced from PubChem (CID 70269971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).