3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C21H20N4O — CID 95064102

IUPAC3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(-c2noc3c(NC[C@H](C)c4ccccc4)ncnc23)cc1
InChIInChI=1S/C21H20N4O/c1-14-8-10-17(11-9-14)18-19-20(26-25-18)21(24-13-23-19)22-12-15(2)16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3,(H,22,23,24)/t15-/m0/s1
InChIKeyBQPNONLYJHLHGX-HNNXBMFYSA-N
MW344.42 g/mol
LogP4.81
Rot. Bonds5

About 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 95064102) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID95064102
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(-c2noc3c(NC[C@H](C)c4ccccc4)ncnc23)cc1
InChIInChI=1S/C21H20N4O/c1-14-8-10-17(11-9-14)18-19-20(26-25-18)21(24-13-23-19)22-12-15(2)16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3,(H,22,23,24)/t15-/m0/s1
InChIKeyBQPNONLYJHLHGX-HNNXBMFYSA-N
XLogP4.81
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 95064102) is 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Cc1ccc(-c2noc3c(NC[C@H](C)c4ccccc4)ncnc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BQPNONLYJHLHGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-8-10-17(11-9-14)18-19-20(26-25-18)21(24-13-23-19)22-12-15(2)16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 344.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 95064102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).