(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one

C8H12N6O — CID 135566759

IUPAC(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one
SMILESNc1nc2c(c(=O)[nH]1)N1CNC[C@H]1CN2
InChIInChI=1S/C8H12N6O/c9-8-12-6-5(7(15)13-8)14-3-10-1-4(14)2-11-6/h4,10H,1-3H2,(H4,9,11,12,13,15)/t4-/m0/s1
InChIKeySYLVEQOLXDQBGI-BYPYZUCNSA-N
MW208.22 g/mol
LogP-1.49
Rot. Bonds

About (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one

(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one (PubChem CID 135566759) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one.

Molecular Properties

Compound Name(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one
PubChem CID135566759
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one
SMILESNc1nc2c(c(=O)[nH]1)N1CNC[C@H]1CN2
InChIInChI=1S/C8H12N6O/c9-8-12-6-5(7(15)13-8)14-3-10-1-4(14)2-11-6/h4,10H,1-3H2,(H4,9,11,12,13,15)/t4-/m0/s1
InChIKeySYLVEQOLXDQBGI-BYPYZUCNSA-N
XLogP-1.49
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one?
The IUPAC name of (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one (CID 135566759) is (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one.
What is the SMILES notation for (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one?
The canonical SMILES for (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one is Nc1nc2c(c(=O)[nH]1)N1CNC[C@H]1CN2.
What is the InChIKey of (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one?
The InChIKey is SYLVEQOLXDQBGI-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H12N6O/c9-8-12-6-5(7(15)13-8)14-3-10-1-4(14)2-11-6/h4,10H,1-3H2,(H4,9,11,12,13,15)/t4-/m0/s1.
What are the key properties of (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one?
(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one has a molecular weight of 208.22 g/mol, XLogP of -1.49, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one is sourced from PubChem (CID 135566759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).