2-methyl-4a,8a-dihydro-3H-pteridin-4-one

C7H8N4O — CID 20720864

IUPAC2-methyl-4a,8a-dihydro-3H-pteridin-4-one
SMILESCC1=NC2N=CC=NC2C(=O)N1
InChIInChI=1S/C7H8N4O/c1-4-10-6-5(7(12)11-4)8-2-3-9-6/h2-3,5-6H,1H3,(H,10,11,12)
InChIKeyURRCKWYHRPUNLD-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.62
Rot. Bonds

About 2-methyl-4a,8a-dihydro-3H-pteridin-4-one

2-methyl-4a,8a-dihydro-3H-pteridin-4-one (PubChem CID 20720864) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-methyl-4a,8a-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-methyl-4a,8a-dihydro-3H-pteridin-4-one
PubChem CID20720864
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-methyl-4a,8a-dihydro-3H-pteridin-4-one
SMILESCC1=NC2N=CC=NC2C(=O)N1
InChIInChI=1S/C7H8N4O/c1-4-10-6-5(7(12)11-4)8-2-3-9-6/h2-3,5-6H,1H3,(H,10,11,12)
InChIKeyURRCKWYHRPUNLD-UHFFFAOYSA-N
XLogP-0.62
TPSA66.18 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 ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Dimethylamino)-4a,8-dihydropteridine-2,7-dione
CID 145918484
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 57074695
2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129133631
2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129144078
2-Tert-butyl-5,9-dihydro-purin-6-one
CID 136984175
6,8-dihydro-2H-pteridin-7-one
CID 141033318
2-Amino-4-imino-6-methyl-4a,8-dihydropteridin-7-one
CID 141391537
2-methyl-9-sulfanyl-4,5-dihydro-1H-purin-6-one
CID 164060617
4-Amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one
CID 172768035
4a,8-Dihydropteridine-4,7-dione
CID 23422151
4a,8-Dihydropteridine-2,4,7-trione
CID 23422163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4a,8a-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-methyl-4a,8a-dihydro-3H-pteridin-4-one (CID 20720864) is 2-methyl-4a,8a-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-methyl-4a,8a-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-methyl-4a,8a-dihydro-3H-pteridin-4-one is CC1=NC2N=CC=NC2C(=O)N1.
What is the InChIKey of 2-methyl-4a,8a-dihydro-3H-pteridin-4-one?
The InChIKey is URRCKWYHRPUNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-10-6-5(7(12)11-4)8-2-3-9-6/h2-3,5-6H,1H3,(H,10,11,12).
What are the key properties of 2-methyl-4a,8a-dihydro-3H-pteridin-4-one?
2-methyl-4a,8a-dihydro-3H-pteridin-4-one has a molecular weight of 164.17 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4a,8a-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 20720864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).