2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one

C8H13N5O — CID 135537086

IUPAC2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one
SMILESCC1(C)CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C8H13N5O/c1-8(2)3-10-5-4(13-8)6(14)12-7(9)11-5/h13H,3H2,1-2H3,(H4,9,10,11,12,14)
InChIKeyPAUJITBZUCOBIJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.03
Rot. Bonds

About 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one

2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one (PubChem CID 135537086) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one
PubChem CID135537086
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one
SMILESCC1(C)CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C8H13N5O/c1-8(2)3-10-5-4(13-8)6(14)12-7(9)11-5/h13H,3H2,1-2H3,(H4,9,10,11,12,14)
InChIKeyPAUJITBZUCOBIJ-UHFFFAOYSA-N
XLogP-0.03
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one (CID 135537086) is 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one is CC1(C)CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one?
The InChIKey is PAUJITBZUCOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-8(2)3-10-5-4(13-8)6(14)12-7(9)11-5/h13H,3H2,1-2H3,(H4,9,10,11,12,14).
What are the key properties of 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one?
2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -0.03, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6-dimethyl-3,5,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 135537086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).