1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol

C8H13N5O — CID 91038077

IUPAC1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol
SMILESCC(O)CN1C=Nc2nc[nH]c2C1N
InChIInChI=1S/C8H13N5O/c1-5(14)2-13-4-12-8-6(7(13)9)10-3-11-8/h3-5,7,14H,2,9H2,1H3,(H,10,11)
InChIKeyAITVYMAHJTVUIH-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.28
Rot. Bonds2

About 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol

1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol (PubChem CID 91038077) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol
PubChem CID91038077
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol
SMILESCC(O)CN1C=Nc2nc[nH]c2C1N
InChIInChI=1S/C8H13N5O/c1-5(14)2-13-4-12-8-6(7(13)9)10-3-11-8/h3-5,7,14H,2,9H2,1H3,(H,10,11)
InChIKeyAITVYMAHJTVUIH-UHFFFAOYSA-N
XLogP-0.28
TPSA90.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol?
The IUPAC name of 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol (CID 91038077) is 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol?
The canonical SMILES for 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol is CC(O)CN1C=Nc2nc[nH]c2C1N.
What is the InChIKey of 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol?
The InChIKey is AITVYMAHJTVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(14)2-13-4-12-8-6(7(13)9)10-3-11-8/h3-5,7,14H,2,9H2,1H3,(H,10,11).
What are the key properties of 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol?
1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol has a molecular weight of 195.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-6,7-dihydropurin-1-yl)propan-2-ol is sourced from PubChem (CID 91038077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).