2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one

C7H10N4O2 — CID 23064270

IUPAC2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one
SMILESCN1C(=O)c2[nH]cnc2N(C)C1O
InChIInChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3,7,13H,1-2H3,(H,8,9)
InChIKeyOBGAXKSGCBIARN-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.79
Rot. Bonds

About 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one

2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one (PubChem CID 23064270) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one
PubChem CID23064270
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one
SMILESCN1C(=O)c2[nH]cnc2N(C)C1O
InChIInChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3,7,13H,1-2H3,(H,8,9)
InChIKeyOBGAXKSGCBIARN-UHFFFAOYSA-N
XLogP-0.79
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2153
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CID 135398634
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CID 1188
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CID 4687
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CID 80220
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CID 135398638
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CID 68374
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CID 135398738
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CID 9679
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CID 1676
CID 1676

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one?
The IUPAC name of 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one (CID 23064270) is 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one.
What is the SMILES notation for 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one?
The canonical SMILES for 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one is CN1C(=O)c2[nH]cnc2N(C)C1O.
What is the InChIKey of 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one?
The InChIKey is OBGAXKSGCBIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3,7,13H,1-2H3,(H,8,9).
What are the key properties of 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one?
2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one has a molecular weight of 182.18 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-dimethyl-2,7-dihydropurin-6-one is sourced from PubChem (CID 23064270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).