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

C8H12N6O — CID 141391153

IUPAC3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol
SMILES[H]/N=c1\c2[nH]cnc2nc(CCCO)n1N
InChIInChI=1S/C8H12N6O/c9-7-6-8(12-4-11-6)13-5(14(7)10)2-1-3-15/h4,9,15H,1-3,10H2,(H,11,12)/b9-7+
InChIKeyBYIYUAZUDGLNNM-VQHVLOKHSA-N
MW208.22 g/mol
LogP-1.12
Rot. Bonds3

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

3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol (PubChem CID 141391153) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol
PubChem CID141391153
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol
SMILES[H]/N=c1\c2[nH]cnc2nc(CCCO)n1N
InChIInChI=1S/C8H12N6O/c9-7-6-8(12-4-11-6)13-5(14(7)10)2-1-3-15/h4,9,15H,1-3,10H2,(H,11,12)/b9-7+
InChIKeyBYIYUAZUDGLNNM-VQHVLOKHSA-N
XLogP-1.12
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
1-(trideuterio(113C)methyl)-7H-purin-6-imine
CID 169443101
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-imino-7H-purin-1-yl)oxolane-3,4-diol
CID 135506513
[(2S,6S)-2-(6-imino-7H-purin-1-yl)-3,6-dihydro-2H-pyran-6-yl]methanol
CID 135856465
2-hydroxy-3-(6-imino-7H-purin-1-yl)propanoic acid
CID 136704244
2-(7H-purin-6-yl)ethanol
CID 53402024
2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine
CID 137123533
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;1-methyl-7H-purin-6-imine
CID 135815815
(2-amino-7H-purin-6-yl)methanol
CID 11593490
1,2-diamino-7H-purin-6-one
CID 15628862
3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol
CID 63376957
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
CID 107207561

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol (CID 141391153) is 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol is [H]/N=c1\c2[nH]cnc2nc(CCCO)n1N.
What is the InChIKey of 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol?
The InChIKey is BYIYUAZUDGLNNM-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N6O/c9-7-6-8(12-4-11-6)13-5(14(7)10)2-1-3-15/h4,9,15H,1-3,10H2,(H,11,12)/b9-7+.
What are the key properties of 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol?
3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol has a molecular weight of 208.22 g/mol, XLogP of -1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-6-imino-7H-purin-2-yl)propan-1-ol is sourced from PubChem (CID 141391153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).