4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one

C7H8N6O — CID 172768035

IUPAC4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one
SMILES[H]/N=C1\N=C(N)C2N=C(C)C(=O)NC2=N1
InChIInChI=1S/C7H8N6O/c1-2-6(14)12-5-3(10-2)4(8)11-7(9)13-5/h3H,1H3,(H4,8,9,11,12,13,14)
InChIKeyMORJFTYJKMBWTH-UHFFFAOYSA-N
MW192.18 g/mol
LogP-1.35
Rot. Bonds

About 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one

4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one (PubChem CID 172768035) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one.

Molecular Properties

Compound Name4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one
PubChem CID172768035
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one
SMILES[H]/N=C1\N=C(N)C2N=C(C)C(=O)NC2=N1
InChIInChI=1S/C7H8N6O/c1-2-6(14)12-5-3(10-2)4(8)11-7(9)13-5/h3H,1H3,(H4,8,9,11,12,13,14)
InChIKeyMORJFTYJKMBWTH-UHFFFAOYSA-N
XLogP-1.35
TPSA116.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one?
The IUPAC name of 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one (CID 172768035) is 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one.
What is the SMILES notation for 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one?
The canonical SMILES for 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one is [H]/N=C1\N=C(N)C2N=C(C)C(=O)NC2=N1.
What is the InChIKey of 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one?
The InChIKey is MORJFTYJKMBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-2-6(14)12-5-3(10-2)4(8)11-7(9)13-5/h3H,1H3,(H4,8,9,11,12,13,14).
What are the key properties of 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one?
4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one has a molecular weight of 192.18 g/mol, XLogP of -1.35, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one is sourced from PubChem (CID 172768035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).