2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C10H17N5O — CID 137148918

IUPAC2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCC(C)C1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O/c1-3-5(2)6-4-12-8-7(13-6)9(16)15-10(11)14-8/h5-6,13H,3-4H2,1-2H3,(H4,11,12,14,15,16)
InChIKeyCIZUOKVFOUQFMM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.60
Rot. Bonds2

About 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 137148918) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID137148918
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCC(C)C1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O/c1-3-5(2)6-4-12-8-7(13-6)9(16)15-10(11)14-8/h5-6,13H,3-4H2,1-2H3,(H4,11,12,14,15,16)
InChIKeyCIZUOKVFOUQFMM-UHFFFAOYSA-N
XLogP0.60
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 137148918) is 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one is CCC(C)C1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is CIZUOKVFOUQFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-5(2)6-4-12-8-7(13-6)9(16)15-10(11)14-8/h5-6,13H,3-4H2,1-2H3,(H4,11,12,14,15,16).
What are the key properties of 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 137148918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).