1-methyl-5,7-dihydropteridin-6-one

C7H8N4O — CID 140996867

IUPAC1-methyl-5,7-dihydropteridin-6-one
SMILESCN1C=NC=C2NC(=O)CN=C21
InChIInChI=1S/C7H8N4O/c1-11-4-8-2-5-7(11)9-3-6(12)10-5/h2,4H,3H2,1H3,(H,10,12)
InChIKeyXMRGQFIJCNZQPN-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.67
Rot. Bonds

About 1-methyl-5,7-dihydropteridin-6-one

1-methyl-5,7-dihydropteridin-6-one (PubChem CID 140996867) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name1-methyl-5,7-dihydropteridin-6-one
PubChem CID140996867
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-methyl-5,7-dihydropteridin-6-one
SMILESCN1C=NC=C2NC(=O)CN=C21
InChIInChI=1S/C7H8N4O/c1-11-4-8-2-5-7(11)9-3-6(12)10-5/h2,4H,3H2,1H3,(H,10,12)
InChIKeyXMRGQFIJCNZQPN-UHFFFAOYSA-N
XLogP-0.67
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,7-dihydropteridin-6-one?
The IUPAC name of 1-methyl-5,7-dihydropteridin-6-one (CID 140996867) is 1-methyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 1-methyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 1-methyl-5,7-dihydropteridin-6-one is CN1C=NC=C2NC(=O)CN=C21.
What is the InChIKey of 1-methyl-5,7-dihydropteridin-6-one?
The InChIKey is XMRGQFIJCNZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-11-4-8-2-5-7(11)9-3-6(12)10-5/h2,4H,3H2,1H3,(H,10,12).
What are the key properties of 1-methyl-5,7-dihydropteridin-6-one?
1-methyl-5,7-dihydropteridin-6-one has a molecular weight of 164.17 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 140996867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).