6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine

C9H15N5O — CID 59097413

IUPAC6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine
SMILESCOC1N=C(N)Nc2c1ncn2C(C)C
InChIInChI=1S/C9H15N5O/c1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3/h4-5,8H,1-3H3,(H3,10,12,13)
InChIKeyPXAKHRJPJLNKDM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.85
Rot. Bonds2

About 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine

6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine (PubChem CID 59097413) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine.

Molecular Properties

Compound Name6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine
PubChem CID59097413
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine
SMILESCOC1N=C(N)Nc2c1ncn2C(C)C
InChIInChI=1S/C9H15N5O/c1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3/h4-5,8H,1-3H3,(H3,10,12,13)
InChIKeyPXAKHRJPJLNKDM-UHFFFAOYSA-N
XLogP0.85
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine?
The IUPAC name of 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine (CID 59097413) is 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine.
What is the SMILES notation for 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine?
The canonical SMILES for 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine is COC1N=C(N)Nc2c1ncn2C(C)C.
What is the InChIKey of 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine?
The InChIKey is PXAKHRJPJLNKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3/h4-5,8H,1-3H3,(H3,10,12,13).
What are the key properties of 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine?
6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-propan-2-yl-3,6-dihydropurin-2-amine is sourced from PubChem (CID 59097413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).