2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione

C10H15N5O2 — CID 129144079

IUPAC2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCCC(C)N1C(=O)C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C10H15N5O2/c1-3-5(2)15-6(16)4-12-7-8(15)13-10(11)14-9(7)17/h4-5,7-8H,3H2,1-2H3,(H3,11,13,14,17)
InChIKeyARFJAXKEJKLUOY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.16
Rot. Bonds2

About 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione

2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione (PubChem CID 129144079) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
PubChem CID129144079
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCCC(C)N1C(=O)C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C10H15N5O2/c1-3-5(2)15-6(16)4-12-7-8(15)13-10(11)14-9(7)17/h4-5,7-8H,3H2,1-2H3,(H3,11,13,14,17)
InChIKeyARFJAXKEJKLUOY-UHFFFAOYSA-N
XLogP-1.16
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione (CID 129144079) is 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione is CCC(C)N1C(=O)C=NC2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The InChIKey is ARFJAXKEJKLUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-5(2)15-6(16)4-12-7-8(15)13-10(11)14-9(7)17/h4-5,7-8H,3H2,1-2H3,(H3,11,13,14,17).
What are the key properties of 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione?
2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione has a molecular weight of 237.26 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione is sourced from PubChem (CID 129144079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).