N-(oxolan-3-ylmethyl)-7H-purin-6-amine

C10H13N5O — CID 47280202

IUPACN-(oxolan-3-ylmethyl)-7H-purin-6-amine
SMILESc1nc(NCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O/c1-2-16-4-7(1)3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7H,1-4H2,(H2,11,12,13,14,15)
InChIKeyPBICNVPISYXCHL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.80
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-7H-purin-6-amine

N-(oxolan-3-ylmethyl)-7H-purin-6-amine (PubChem CID 47280202) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-7H-purin-6-amine
PubChem CID47280202
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-(oxolan-3-ylmethyl)-7H-purin-6-amine
SMILESc1nc(NCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O/c1-2-16-4-7(1)3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7H,1-4H2,(H2,11,12,13,14,15)
InChIKeyPBICNVPISYXCHL-UHFFFAOYSA-N
XLogP0.80
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-7H-purin-6-amine (CID 47280202) is N-(oxolan-3-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-7H-purin-6-amine is c1nc(NCC2CCOC2)c2[nH]cnc2n1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-7H-purin-6-amine?
The InChIKey is PBICNVPISYXCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-16-4-7(1)3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7H,1-4H2,(H2,11,12,13,14,15).
What are the key properties of N-(oxolan-3-ylmethyl)-7H-purin-6-amine?
N-(oxolan-3-ylmethyl)-7H-purin-6-amine has a molecular weight of 219.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 47280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).