9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine

C17H19N5O — CID 11681113

IUPAC9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine
SMILESCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21
InChIInChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20)
InChIKeyGBJPOTZOPSNSFN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds4

About 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine

9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine (PubChem CID 11681113) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine
PubChem CID11681113
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine
SMILESCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21
InChIInChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20)
InChIKeyGBJPOTZOPSNSFN-UHFFFAOYSA-N
XLogP2.71
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Roscovitine
CID 160355
Olomoucine
CID 4592
6-benzylamino-9-(2-tetrahydropyranyl)-9H-purine
CID 16834
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
Benzyladenosine
CID 92208
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
Metrifudil
CID 65710
(R)-Pia
CID 93205
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
CID 10137573
3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-ol
CID 9862110
3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-ol
CID 10404061

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
The IUPAC name of 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine (CID 11681113) is 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine.
What is the SMILES notation for 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
The canonical SMILES for 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine is CCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21.
What is the InChIKey of 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
The InChIKey is GBJPOTZOPSNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20).
What are the key properties of 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine has a molecular weight of 309.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine is sourced from PubChem (CID 11681113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).