3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H23N5O2 — CID 46359399

IUPAC3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1-c1noc2ncnc(NCCCN3CCOCC3)c12
InChIInChI=1S/C19H23N5O2/c1-14-5-2-3-6-15(14)17-16-18(21-13-22-19(16)26-23-17)20-7-4-8-24-9-11-25-12-10-24/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,21,22)
InChIKeyRJKJPOIIYMYQKM-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.73
Rot. Bonds6

About 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359399) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359399
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1-c1noc2ncnc(NCCCN3CCOCC3)c12
InChIInChI=1S/C19H23N5O2/c1-14-5-2-3-6-15(14)17-16-18(21-13-22-19(16)26-23-17)20-7-4-8-24-9-11-25-12-10-24/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,21,22)
InChIKeyRJKJPOIIYMYQKM-UHFFFAOYSA-N
XLogP2.73
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527
3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359537
N',N'-diethyl-N-[3-(2-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 46359431
3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359479
7-(3-chloro-4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4063686
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 91579922
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4909378
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692303
N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
CID 44726219

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359399) is 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1ccccc1-c1noc2ncnc(NCCCN3CCOCC3)c12.
What is the InChIKey of 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RJKJPOIIYMYQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-5-2-3-6-15(14)17-16-18(21-13-22-19(16)26-23-17)20-7-4-8-24-9-11-25-12-10-24/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,21,22).
What are the key properties of 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).