6-butan-2-yloxy-7H-purin-2-amine

C9H13N5O — CID 5329496

IUPAC6-butan-2-yloxy-7H-purin-2-amine
SMILESCCC(C)Oc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyNSRQMGVNAQLUID-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.11
Rot. Bonds3

About 6-butan-2-yloxy-7H-purin-2-amine

6-butan-2-yloxy-7H-purin-2-amine (PubChem CID 5329496) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-butan-2-yloxy-7H-purin-2-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-7H-purin-2-amine
PubChem CID5329496
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name6-butan-2-yloxy-7H-purin-2-amine
SMILESCCC(C)Oc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyNSRQMGVNAQLUID-UHFFFAOYSA-N
XLogP1.11
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

O-(6)-Methylguanine
CID 65275
NU-2058
CID 4564
6-Ethoxypurine
CID 87338
O6-Substituted Guanine Deriv. 24
CID 5329510
6-Methoxy-9H-purine
CID 70632
O6-Allylguanine
CID 179571
6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine
CID 5329503
O6-Substituted Guanine Deriv. 26
CID 5329511
O6-Substituted Guanine Deriv. 27
CID 5329512
1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol
CID 445940
Purine, 2-amino-6-propoxy-
CID 95802
6-ethoxy-9H-purin-2-amine
CID 95805

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-7H-purin-2-amine?
The IUPAC name of 6-butan-2-yloxy-7H-purin-2-amine (CID 5329496) is 6-butan-2-yloxy-7H-purin-2-amine.
What is the SMILES notation for 6-butan-2-yloxy-7H-purin-2-amine?
The canonical SMILES for 6-butan-2-yloxy-7H-purin-2-amine is CCC(C)Oc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-butan-2-yloxy-7H-purin-2-amine?
The InChIKey is NSRQMGVNAQLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 6-butan-2-yloxy-7H-purin-2-amine?
6-butan-2-yloxy-7H-purin-2-amine has a molecular weight of 207.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-7H-purin-2-amine is sourced from PubChem (CID 5329496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).