2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one

C9H15N5O2 — CID 135590526

IUPAC2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one
SMILESCC(CO)N1CN(C)c2nc(N)[nH]c(=O)c21
InChIInChI=1S/C9H15N5O2/c1-5(3-15)14-4-13(2)7-6(14)8(16)12-9(10)11-7/h5,15H,3-4H2,1-2H3,(H3,10,11,12,16)
InChIKeyOJAYRVOSBQQGJJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.05
Rot. Bonds2

About 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one

2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one (PubChem CID 135590526) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one
PubChem CID135590526
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one
SMILESCC(CO)N1CN(C)c2nc(N)[nH]c(=O)c21
InChIInChI=1S/C9H15N5O2/c1-5(3-15)14-4-13(2)7-6(14)8(16)12-9(10)11-7/h5,15H,3-4H2,1-2H3,(H3,10,11,12,16)
InChIKeyOJAYRVOSBQQGJJ-UHFFFAOYSA-N
XLogP-1.05
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-Hydroxyethyl)-8-Mercaptoguanine
CID 135566641
Ring-opened 7-(2-hydroxyethyl)guanine
CID 135854983
2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one
CID 135763150
2-amino-9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136334490
2-amino-9-(4-hydroxybutyl)-7,8-dihydro-1H-purin-6-one
CID 136397700
2-amino-9-(2,4-dihydroxybutyl)-7,8-dihydro-1H-purin-6-one
CID 136416536
2-amino-9-(2-hydroxyacetyl)-7,8-dihydro-1H-purin-6-one
CID 136422433
CID 136425878
CID 136425878
2-amino-9-(4-hydroxybutyl)-8-methyl-7,8-dihydro-1H-purin-6-one
CID 136426073
2-amino-9-(1-hydroxy-3-propan-2-yloxypropan-2-yl)-7,8-dihydro-1H-purin-6-one
CID 136445382
2-amino-9-[2-(hydroxymethoxy)ethyl]-7,8-dihydro-1H-purin-6-one
CID 136445771
2-amino-9-(3-hydroxypropoxymethyl)-7,8-dihydro-1H-purin-6-one
CID 136448831

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one?
The IUPAC name of 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one (CID 135590526) is 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one.
What is the SMILES notation for 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one?
The canonical SMILES for 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one is CC(CO)N1CN(C)c2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one?
The InChIKey is OJAYRVOSBQQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5(3-15)14-4-13(2)7-6(14)8(16)12-9(10)11-7/h5,15H,3-4H2,1-2H3,(H3,10,11,12,16).
What are the key properties of 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one?
2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one has a molecular weight of 225.25 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(1-hydroxypropan-2-yl)-9-methyl-1,8-dihydropurin-6-one is sourced from PubChem (CID 135590526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).