2-amino-4a,7-dihydro-3H-pteridin-4-one

C6H7N5O — CID 136880795

IUPAC2-amino-4a,7-dihydro-3H-pteridin-4-one
SMILESNC1=NC2=NCC=NC2C(=O)N1
InChIInChI=1S/C6H7N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1,3H,2H2,(H3,7,9,10,11,12)
InChIKeyUXFALAUVIZWVET-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.72
Rot. Bonds

About 2-amino-4a,7-dihydro-3H-pteridin-4-one

2-amino-4a,7-dihydro-3H-pteridin-4-one (PubChem CID 136880795) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-amino-4a,7-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-4a,7-dihydro-3H-pteridin-4-one
PubChem CID136880795
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name2-amino-4a,7-dihydro-3H-pteridin-4-one
SMILESNC1=NC2=NCC=NC2C(=O)N1
InChIInChI=1S/C6H7N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1,3H,2H2,(H3,7,9,10,11,12)
InChIKeyUXFALAUVIZWVET-UHFFFAOYSA-N
XLogP-1.72
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
1,2,5,9-Tetrahydropurin-6-one
CID 134146988
2-Amino-6,7-dihydropteridin-4(1H)-one
CID 135566457
Pteridine-2,4(3h,4ah)-dione
CID 23422119
2-imino-9-methyl-5H-purin-6-one
CID 138059574
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
CID 57336529
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
2-amino-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53675801
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782
3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 57074695
2-Amino-1,2,5,9-tetrahydropurin-6-one
CID 69729395

Frequently Asked Questions

What is the IUPAC name of 2-amino-4a,7-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-4a,7-dihydro-3H-pteridin-4-one (CID 136880795) is 2-amino-4a,7-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-4a,7-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-4a,7-dihydro-3H-pteridin-4-one is NC1=NC2=NCC=NC2C(=O)N1.
What is the InChIKey of 2-amino-4a,7-dihydro-3H-pteridin-4-one?
The InChIKey is UXFALAUVIZWVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1,3H,2H2,(H3,7,9,10,11,12).
What are the key properties of 2-amino-4a,7-dihydro-3H-pteridin-4-one?
2-amino-4a,7-dihydro-3H-pteridin-4-one has a molecular weight of 165.16 g/mol, XLogP of -1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4a,7-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 136880795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).