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

C16H17N5O — CID 11659363

IUPAC9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine
SMILESCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21
InChIInChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19)
InChIKeyYXOSDWDETWYJOQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.23
Rot. Bonds3

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

9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine (PubChem CID 11659363) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine.

Molecular Properties

Compound Name9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine
PubChem CID11659363
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine
SMILESCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21
InChIInChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19)
InChIKeyYXOSDWDETWYJOQ-UHFFFAOYSA-N
XLogP2.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.23
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-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
The IUPAC name of 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine (CID 11659363) is 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine.
What is the SMILES notation for 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
The canonical SMILES for 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine is Cn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21.
What is the InChIKey of 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
The InChIKey is YXOSDWDETWYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19).
What are the key properties of 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine?
9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine has a molecular weight of 295.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(oxolan-3-yl)-8-phenylpurin-6-amine is sourced from PubChem (CID 11659363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).