2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one

C8H15N5O — CID 20811390

IUPAC2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one
SMILESCC1NC2=C(NC1C)C(=O)NC(N)N2
InChIInChI=1S/C8H15N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,8,10-12H,9H2,1-2H3,(H,13,14)
InChIKeyOHYBQKFBKZNYKP-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.91
Rot. Bonds

About 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one

2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one (PubChem CID 20811390) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one
PubChem CID20811390
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one
SMILESCC1NC2=C(NC1C)C(=O)NC(N)N2
InChIInChI=1S/C8H15N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,8,10-12H,9H2,1-2H3,(H,13,14)
InChIKeyOHYBQKFBKZNYKP-UHFFFAOYSA-N
XLogP-1.91
TPSA91.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one?
The IUPAC name of 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one (CID 20811390) is 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one?
The canonical SMILES for 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one is CC1NC2=C(NC1C)C(=O)NC(N)N2.
What is the InChIKey of 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one?
The InChIKey is OHYBQKFBKZNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,8,10-12H,9H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one?
2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one has a molecular weight of 197.24 g/mol, XLogP of -1.91, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one is sourced from PubChem (CID 20811390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).