6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one

C16H23N5O3 — CID 25026355

IUPAC6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one
SMILESNc1nc(OCCC2CC2)nc2c1[nH]c(=O)n2CCC1CCOC1
InChIInChI=1S/C16H23N5O3/c17-13-12-14(20-15(19-13)24-8-5-10-1-2-10)21(16(22)18-12)6-3-11-4-7-23-9-11/h10-11H,1-9H2,(H,18,22)(H2,17,19,20)
InChIKeyPMQPINGSUJOWFG-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.31
Rot. Bonds7

About 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one

6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one (PubChem CID 25026355) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one
PubChem CID25026355
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one
SMILESNc1nc(OCCC2CC2)nc2c1[nH]c(=O)n2CCC1CCOC1
InChIInChI=1S/C16H23N5O3/c17-13-12-14(20-15(19-13)24-8-5-10-1-2-10)21(16(22)18-12)6-3-11-4-7-23-9-11/h10-11H,1-9H2,(H,18,22)(H2,17,19,20)
InChIKeyPMQPINGSUJOWFG-UHFFFAOYSA-N
XLogP1.31
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-9-(oxolan-3-ylmethyl)-2-propoxy-7H-purin-8-one
CID 67314393
6-amino-2-butoxy-9-[3-[[(3R)-oxolan-3-yl]methylamino]propyl]-7H-purin-8-one
CID 68575201
6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
CID 143428583
6-amino-9-[3-(oxan-4-yl)propyl]-2-[(2R)-pentan-2-yl]oxy-7H-purin-8-one
CID 25024571
6-amino-2-butoxy-9-[2-[1-(2-cyclohexylethyl)piperidin-3-yl]ethyl]-7H-purin-8-one
CID 67233837
6-amino-2-butoxy-9-(4-piperidin-4-ylbutyl)-7H-purin-8-one
CID 67181623
6-amino-2-butoxy-9-[3-(2,2-dimethyloxan-4-yl)propyl]-7H-purin-8-one
CID 25026555
6-amino-2-butoxy-9-[3-(1-butylpiperidin-4-yl)propyl]-7H-purin-8-one
CID 67233137
4-amino-2-(2-cyclopropylethoxy)-7-[2-(oxan-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58497496
6-amino-2-butoxy-9-[2-(oxolan-2-ylmethoxy)ethyl]-7H-purin-8-one
CID 68610854
6-amino-2-butoxy-9-(piperidin-4-ylmethyl)-7H-purin-8-one;hydrochloride
CID 67607123
6-amino-2-butoxy-9-[4-[1-(cyclopentylmethyl)piperidin-3-yl]butyl]-7H-purin-8-one
CID 67183581

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one?
The IUPAC name of 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one (CID 25026355) is 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one.
What is the SMILES notation for 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one?
The canonical SMILES for 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one is Nc1nc(OCCC2CC2)nc2c1[nH]c(=O)n2CCC1CCOC1.
What is the InChIKey of 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one?
The InChIKey is PMQPINGSUJOWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c17-13-12-14(20-15(19-13)24-8-5-10-1-2-10)21(16(22)18-12)6-3-11-4-7-23-9-11/h10-11H,1-9H2,(H,18,22)(H2,17,19,20).
What are the key properties of 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one?
6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one has a molecular weight of 333.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one is sourced from PubChem (CID 25026355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).