2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one

C10H17N5O3 — CID 135763150

IUPAC2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESNc1nc2c(c(=O)[nH]1)NCN2C(CO)CCCO
InChIInChI=1S/C10H17N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)6(4-17)2-1-3-16/h6,12,16-17H,1-5H2,(H3,11,13,14,18)
InChIKeySQGZBVGXWYJPTJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.33
Rot. Bonds5

About 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one

2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one (PubChem CID 135763150) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one
PubChem CID135763150
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one
SMILESNc1nc2c(c(=O)[nH]1)NCN2C(CO)CCCO
InChIInChI=1S/C10H17N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)6(4-17)2-1-3-16/h6,12,16-17H,1-5H2,(H3,11,13,14,18)
InChIKeySQGZBVGXWYJPTJ-UHFFFAOYSA-N
XLogP-1.33
TPSA127.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one (CID 135763150) is 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one is Nc1nc2c(c(=O)[nH]1)NCN2C(CO)CCCO.
What is the InChIKey of 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one?
The InChIKey is SQGZBVGXWYJPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)6(4-17)2-1-3-16/h6,12,16-17H,1-5H2,(H3,11,13,14,18).
What are the key properties of 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one?
2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one has a molecular weight of 255.28 g/mol, XLogP of -1.33, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(1,5-dihydroxypentan-2-yl)-7,8-dihydro-1H-purin-6-one is sourced from PubChem (CID 135763150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).