N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine

C18H21N5O — CID 11681354

IUPACN-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine
SMILESCCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21
InChIInChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21)
InChIKeyDKBVGCBQEPRZDO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.10
Rot. Bonds5

About N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine

N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine (PubChem CID 11681354) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine
PubChem CID11681354
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine
SMILESCCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21
InChIInChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21)
InChIKeyDKBVGCBQEPRZDO-UHFFFAOYSA-N
XLogP3.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine?
The IUPAC name of N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine (CID 11681354) is N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine.
What is the SMILES notation for N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine?
The canonical SMILES for N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine is CCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21.
What is the InChIKey of N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine?
The InChIKey is DKBVGCBQEPRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21).
What are the key properties of N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine?
N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-8-phenyl-9-propylpurin-6-amine is sourced from PubChem (CID 11681354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).