1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol

C14H15N5O2 — CID 155490354

IUPAC1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol
SMILESNc1nc(CC(O)COc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C14H15N5O2/c15-13-12-14(17-8-16-12)19-11(18-13)6-9(20)7-21-10-4-2-1-3-5-10/h1-5,8-9,20H,6-7H2,(H3,15,16,17,18,19)
InChIKeyYMMCGUGWKYIQKS-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.92
Rot. Bonds5

About 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol

1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol (PubChem CID 155490354) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol
PubChem CID155490354
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol
SMILESNc1nc(CC(O)COc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C14H15N5O2/c15-13-12-14(17-8-16-12)19-11(18-13)6-9(20)7-21-10-4-2-1-3-5-10/h1-5,8-9,20H,6-7H2,(H3,15,16,17,18,19)
InChIKeyYMMCGUGWKYIQKS-UHFFFAOYSA-N
XLogP0.92
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol (CID 155490354) is 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol is Nc1nc(CC(O)COc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol?
The InChIKey is YMMCGUGWKYIQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-13-12-14(17-8-16-12)19-11(18-13)6-9(20)7-21-10-4-2-1-3-5-10/h1-5,8-9,20H,6-7H2,(H3,15,16,17,18,19).
What are the key properties of 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol?
1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol has a molecular weight of 285.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 155490354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).