2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one

C10H15N5O2 — CID 136680651

IUPAC2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
SMILESCOC(C)(C)Cc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H15N5O2/c1-10(2,17-3)4-5-12-6-7(13-5)14-9(11)15-8(6)16/h4H2,1-3H3,(H4,11,12,13,14,15,16)
InChIKeyRUWGYJGQZLUUQN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.20
Rot. Bonds3

About 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one

2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one (PubChem CID 136680651) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
PubChem CID136680651
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one
SMILESCOC(C)(C)Cc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H15N5O2/c1-10(2,17-3)4-5-12-6-7(13-5)14-9(11)15-8(6)16/h4H2,1-3H3,(H4,11,12,13,14,15,16)
InChIKeyRUWGYJGQZLUUQN-UHFFFAOYSA-N
XLogP0.20
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one (CID 136680651) is 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one is COC(C)(C)Cc1nc2nc(N)[nH]c(=O)c2[nH]1.
What is the InChIKey of 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one?
The InChIKey is RUWGYJGQZLUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(2,17-3)4-5-12-6-7(13-5)14-9(11)15-8(6)16/h4H2,1-3H3,(H4,11,12,13,14,15,16).
What are the key properties of 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one?
2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one has a molecular weight of 237.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-methoxy-2-methylpropyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 136680651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).