3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol

C10H15N5O — CID 45095420

IUPAC3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol
SMILES[H]/N=c1/c2ncn(CC)c2ncn1CCCO
InChIInChI=1S/C10H15N5O/c1-2-14-6-12-8-9(11)15(4-3-5-16)7-13-10(8)14/h6-7,11,16H,2-5H2,1H3/b11-9-
InChIKeyWXQDIAXLDIVVED-LUAWRHEFSA-N
MW221.26 g/mol
LogP0.11
Rot. Bonds4

About 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol

3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol (PubChem CID 45095420) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol
PubChem CID45095420
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol
SMILES[H]/N=c1/c2ncn(CC)c2ncn1CCCO
InChIInChI=1S/C10H15N5O/c1-2-14-6-12-8-9(11)15(4-3-5-16)7-13-10(8)14/h6-7,11,16H,2-5H2,1H3/b11-9-
InChIKeyWXQDIAXLDIVVED-LUAWRHEFSA-N
XLogP0.11
TPSA79.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol?
The IUPAC name of 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol (CID 45095420) is 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol?
The canonical SMILES for 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol is [H]/N=c1/c2ncn(CC)c2ncn1CCCO.
What is the InChIKey of 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol?
The InChIKey is WXQDIAXLDIVVED-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-14-6-12-8-9(11)15(4-3-5-16)7-13-10(8)14/h6-7,11,16H,2-5H2,1H3/b11-9-.
What are the key properties of 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol?
3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-ethyl-6-iminopurin-1-yl)propan-1-ol is sourced from PubChem (CID 45095420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).